4-(Ethylsulfonyl)-1-naphthalenesulfonamide

UUID fe0acd60-3ddc-11dd-a970-0050c2490048

Flow Object ID fo-5f9d49d750e477a5

Source EF 3.1

Context Environmental → Air → Ground level → Urban (>1000 people/square mile)

CAS Numbers 842-00-2

prefLabel

Language	Value	Provenance
`en`	`4-(Ethylsulfonyl)-1-naphthalenesulfonamide`

altLabel ⓘ

Language	Value	Provenance
`en`	`1-Naphthalenesulfonamide, 4-(ethylsulfonyl)-`
`en`	`4-(Ethylsulfonyl)naphthalene-1-sulfonamide`
`en`	`4-ethylsulfonylnaphthalene-1-sulfonamide`

References

Shared Properties

Predicate	Value
InChIKey	`BLQOLXMZXQXGOL-UHFFFAOYSA-N`
InChI	`InChI=1S/C12H13NO4S2/c1-2-18(14,15)11-7-8-12(19(13,16)17)10-6-4-3-5-9(10)11/h3-8H,2H2,1H3,(H2,13,16,17)`
IUPAC name	`4-esylnaphthalene-1-sulfonamide, 4-ethylsulfonyl-1-naphthalenesulfonamide, 4-ethylsulfonylnaphthalene-1-sulfonamide`
Molecular formula	`C12H13NO4S2`
SMILES	`CCS(=O)(=O)C1=CC=C(C2=CC=CC=C21)S(=O)(=O)N`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`fe0acd60-3ddc-11dd-a970-0050c2490048`	4-ethylsulfonylnaphthalene-1-sulfonamide

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	4-ethylsulfonylnaphthalene-1-sulfonamide	Emissions/Emissions to air/Emissions to urban air close to ground	kg	`exactMatch`	—

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=4-ethylsulfonylnaphthalene-1-sulfonamide\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=842-00-2; added Common Chemistry CAS names as altLabel: 1-Naphthalenesulfonamide, 4-(ethylsulfonyl)-, 4-(Ethylsulfonyl)-1-naphthalenesulfonamide, 4-(Ethylsulfonyl)naphthalene-1-sulfonamide; object_uuid=fo-5f9d49d750e477a5
`cas_match_labels`	1	`—`	consensus_match	group_key=4-ethylsulfonylnaphthalene-1-sulfonamide\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'842-00-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5f9d49d750e477a5: {'842-00-2': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Urban (>1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1-Naphthalenesulfonamide, 4-(ethylsulfonyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:842-00-2', 'https://commonchemistry.cas.org/detail?cas_rn=842-00-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-(Ethylsulfonyl)-1-naphthalenesulfonamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:842-00-2', 'https://commonchemistry.cas.org/detail?cas_rn=842-00-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-(Ethylsulfonyl)naphthalene-1-sulfonamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:842-00-2', 'https://commonchemistry.cas.org/detail?cas_rn=842-00-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=4-ethylsulfonylnaphthalene-1-sulfonamide\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=842-00-2; added Common Chemistry CAS names as altLabel: 1-Naphthalenesulfonamide, 4-(ethylsulfonyl)-, 4-(Ethylsulfonyl)-1-naphthalenesulfonamide, 4-(Ethylsulfonyl)naphthalene-1-sulfonamide; object_uuid=fo-5f9d49d750e477a5
`cas_match_labels`	`None`	`{'842-00-2': 'exactMatch'}`	group_key=4-ethylsulfonylnaphthalene-1-sulfonamide\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'842-00-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5f9d49d750e477a5: {'842-00-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "fe0acd60-3ddc-11dd-a970-0050c2490048",
  "name": null,
  "cas_numbers": [
    "842-00-2"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Urban (>1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "2299222a-bbd8-474f-9d4f-4dd1f18aea7c",
      "name": "Human toxicity, cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 0.000012821
    },
    {
      "method_uuid": "503699e0-eca9-4089-8bf8-e0f49c93e578",
      "name": "Human toxicity, cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 0.000012821
    }
  ],
  "source": "EF 3.1",
  "identifier": "fe0acd60-3ddc-11dd-a970-0050c2490048",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "fe0acd60-3ddc-11dd-a970-0050c2490048",
      "source_flow_name": "4-ethylsulfonylnaphthalene-1-sulfonamide",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to urban air close to ground"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "4-(Ethylsulfonyl)-1-naphthalenesulfonamide",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:842-00-2",
          "CID:13296"
        ],
        "prov:wasDerivedFrom": "pubchem record title"
      }
    }
  ],
  "_sources": {
    "prefLabel": "pubchem_readable_name",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "pubchem_readable_name",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H13NO4S2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13296"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BLQOLXMZXQXGOL-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13296"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCS(=O)(=O)C1=CC=C(C2=CC=CC=C21)S(=O)(=O)N"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13296"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C12H13NO4S2/c1-2-18(14,15)11-7-8-12(19(13,16)17)10-6-4-3-5-9(10)11/h3-8H,2H2,1H3,(H2,13,16,17)"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13296"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "4-esylnaphthalene-1-sulfonamide",
        "4-ethylsulfonyl-1-naphthalenesulfonamide",
        "4-ethylsulfonylnaphthalene-1-sulfonamide"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13296"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.575J",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13296;CAS:842-00-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[842-00-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=842-00-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13296;CAS:842-00-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[842-00-2]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9020613",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13296;CAS:842-00-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[842-00-2]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RZF8EV6BVY",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13296;CAS:842-00-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[842-00-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/13296",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13296;CAS:842-00-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[842-00-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q63088207",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13296;CAS:842-00-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[842-00-2]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Naphthalenesulfonamide, 4-(ethylsulfonyl)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:842-00-2",
          "https://commonchemistry.cas.org/detail?cas_rn=842-00-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(Ethylsulfonyl)naphthalene-1-sulfonamide",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:842-00-2",
          "https://commonchemistry.cas.org/detail?cas_rn=842-00-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-ethylsulfonylnaphthalene-1-sulfonamide",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "fe0acd60-3ddc-11dd-a970-0050c2490048"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "842-00-2": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-11dd-a970-0050c2490048",
        "skos:prefLabel": "4-ethylsulfonylnaphthalene-1-sulfonamide",
        "context": "Emissions/Emissions to air/Emissions to urban air close to ground",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-a970-0050c2490048"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-5f9d49d750e477a5"
}