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4-amino-2,5-dimethoxy-n-methylbenzenesulfonamide

fo-dbcf83c1a6cb9829

Identity

Type
Neutral molecule
CAS
49701-24-8
EC
256-435-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4-amino-2,5-dimethoxy-n-methylbenzenesulfonamide

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CISVVDNATRQDNU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H14N2O4S/c1-11-16(12,13)9-5-7(14-2)6(10)4-8(9)15-3/h4-5,11H,10H2,1-3H3
IUPAC name chemrof:IUPAC_name 4-amino-2,5-dimethoxy-n-methylbenzenesulfonamide
Molecular formula chemrof:molecular_formula C9H14N2O4S
Molecular mass chemrof:molecular_mass 246.288
Monoisotopic mass chemrof:monoisotopic_mass 246.067428
SMILES string chemrof:smiles_string CNS(=O)(=O)c1cc(OC)c(N)cc1OC

Known URLs

7

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=49701-24-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.051.288 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2068507 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GMB7RWW37D enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J76.689E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/170801 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72436147 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
54ec9f27-8149-44ba-a578-f87e48c4dd60 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
11be910b-4524-4c9b-b8b5-58c301028c4c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4e48de8e-2cda-4d09-be85-97d0fc8d3fcf Environmental → Air → Indoor EF 3.1 kg 2
c43471e8-3d25-4f26-a818-148183c2fcb9 Environmental → Air → Long-term EF 3.1 kg 0
a792c498-cb31-487b-81ef-44a36730d81a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9c73b24a-aad0-4bb8-bcd3-a6abb7c441ee Environmental → Air → Unknown EF 3.1 kg 2
2a0482c1-3ff1-4c78-9468-0da703f61ec9 Environmental → Ground → Agricultural EF 3.1 kg 2
4d80f8c0-2a46-42bf-a132-9fe4f2bcbcd9 Environmental → Ground → Non-agricultural EF 3.1 kg 2
98619d34-dcbf-4ec5-9779-219d9959747c Environmental → Ground → Unknown EF 3.1 kg 2
97c4639d-a3c6-4a05-90ff-31da4d4fc4f9 Environmental → Water → Long-term EF 3.1 kg 0
61011eb2-05a6-4786-a0b4-e7b18abfbfec Environmental → Water → Ocean EF 3.1 kg 2
1f325374-b9ee-4808-98ca-d4f69660b112 Environmental → Water → Surface water EF 3.1 kg 2
586a93bd-0fdc-43b1-9c55-1339633d88e6 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-dbcf83c1a6cb9829",
  "prefLabel": [
    {
      "@value": "4-amino-2,5-dimethoxy-n-methylbenzenesulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-Amino-3,6-dimethoxybenzenesulfonic acid methylamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:49701-24-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=49701-24-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonamide, 4-amino-2,5-dimethoxy-N-methyl-",
      "@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=49701-24-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "V 32 Base",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H14N2O4S"
      ],
      "attested_by": {
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      },
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    },
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      "provenance": [
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      "rdfs:label": "InChI",
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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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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      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      ],
      "provenance": [
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          "prov:hadPrimarySource": [
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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"
    }
  },
  "references": [
    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[49701-24-8]"
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  ],
  "created_from": {
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    "seed_uuid": "11be910b-4524-4c9b-b8b5-58c301028c4c",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "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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  "parent_intervention_id": null,
  "@type": [
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  ]
}

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