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2-(trifluoromethyl)benzenesulfonamide

fo-d8c0a8f84c05b905

Identity

Type
Neutral molecule
CAS
1869-24-5
EC
700-280-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-(trifluoromethyl)benzenesulfonamide

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AFFPZJFLSDVZBV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6F3NO2S/c8-7(9,10)5-3-1-2-4-6(5)14(11,12)13/h1-4H,(H2,11,12,13)
IUPAC name chemrof:IUPAC_name 2-(trifluoromethyl)benzenesulfonamide
Molecular formula chemrof:molecular_formula C7H6F3NO2S
Molecular mass chemrof:molecular_mass 225.191
Monoisotopic mass chemrof:monoisotopic_mass 225.007134
SMILES string chemrof:smiles_string NS(=O)(=O)c1ccccc1C(F)(F)F

Known URLs

6

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1869-24-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.112.681 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.410.833 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80380751 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2778018 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q63391601 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
426ae895-b7b4-4b09-b041-4ad54a549781 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
736bcae4-0fcf-4aec-9a15-ef8172fa6595 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7a3bb8d5-59fd-4169-be4a-77519868d5b7 Environmental → Air → Indoor EF 3.1 kg 2
a0604ec7-b698-46f3-ad10-c520069096f5 Environmental → Air → Long-term EF 3.1 kg 0
ba24b6ee-2ea6-4df5-b1af-36faf376192b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4f1bfba9-585e-4e09-9095-ae0102e6a57b Environmental → Air → Unknown EF 3.1 kg 2
2c8b6a1e-6fbc-4a3b-a0ee-38d7b18605b0 Environmental → Ground → Agricultural EF 3.1 kg 2
4bb927b9-e53f-49bb-8617-d556c1f674eb Environmental → Ground → Non-agricultural EF 3.1 kg 2
ec1649ab-94df-4c62-bec3-3812ecfb6af9 Environmental → Ground → Unknown EF 3.1 kg 2
7abf7519-adbe-4892-93b6-e9a0546ac421 Environmental → Water → Long-term EF 3.1 kg 0
fd01089e-0559-40f6-a34e-c53903ea4831 Environmental → Water → Ocean EF 3.1 kg 2
97c8cfcd-5619-4536-a273-4ffe07786646 Environmental → Water → Surface water EF 3.1 kg 2
1026c465-baaa-4d60-b2b1-f107efe05c4b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-d8c0a8f84c05b905",
  "prefLabel": [
    {
      "@value": "2-(trifluoromethyl)benzenesulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-(Trifluoromethyl)benzene-1-sulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1869-24-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonamide, 2-(trifluoromethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=1869-24-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o-Toluenesulfonamide, α,α,α-trifluoro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C7H6F3NO2S"
      ],
      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "InChI",
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      ],
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          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C7H6F3NO2S/c8-7(9,10)5-3-1-2-4-6(5)14(11,12)13/h1-4H,(H2,11,12,13)": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      ],
      "provenance": {
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      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      "provenance": [
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      ],
      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "225.007134": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.112.681",
      "provenance": {
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    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[1869-24-5]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "1026c465-baaa-4d60-b2b1-f107efe05c4b",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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  "origin_qualifier": null,
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  "@type": [
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  ]
}

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