Consensus flow list

Identity

Type
Neutral molecule
CAS
5471-90-9
EC
654-333-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-(4-hydroxyphenyl)benzenesulfonamide

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WHZPMLXZOSFAKY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H11NO3S/c14-11-8-6-10(7-9-11)13-17(15,16)12-4-2-1-3-5-12/h1-9,13-14H
IUPAC name chemrof:IUPAC_name N-(4-hydroxyphenyl)benzenesulfonamide
Molecular formula chemrof:molecular_formula C12H11NO3S
Molecular mass chemrof:molecular_mass 249.291
Monoisotopic mass chemrof:monoisotopic_mass 249.045964
SMILES string chemrof:smiles_string O=S(=O)(Nc1ccc(O)cc1)c1ccccc1

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=5471-90-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.181.460 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1063934 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=28472 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.586.948H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/79622 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81991111 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1825dd83-4b8f-47be-b9ca-ba0501963270 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
10e31c96-9da7-411a-9776-a3b65bac61c3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8117420e-0973-4230-8eb9-95ff6e7d64b4 Environmental → Air → Indoor EF 3.1 kg 2
74429900-1cda-4cc1-bb4d-ba48cb3ec8ea Environmental → Air → Long-term EF 3.1 kg 0
c450a633-c8f4-45a5-b219-b117e4b68b14 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
aadf2bc9-f692-488b-ae4c-9702e854cfb5 Environmental → Air → Unknown EF 3.1 kg 2
e891a34c-7f0c-45cf-942a-d742011adc6c Environmental → Ground → Agricultural EF 3.1 kg 2
8b81f3bf-dcf9-4fa7-b584-0247b467b47a Environmental → Ground → Non-agricultural EF 3.1 kg 2
4fdbb7e7-d693-468f-b347-6a59dd706b43 Environmental → Ground → Unknown EF 3.1 kg 2
d5ad00f6-e6f3-4602-b4f8-cfd1e412d995 Environmental → Water → Long-term EF 3.1 kg 0
77462d10-658c-496e-97fb-ef8edf0cd7fb Environmental → Water → Ocean EF 3.1 kg 2
fd910dd3-b74f-4b0a-bb98-115095c162d3 Environmental → Water → Surface water EF 3.1 kg 2
f3b40eea-124f-4915-95dd-4868b4a4615b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-9d33c7afa5eb46d1",
  "prefLabel": [
    {
      "@value": "N-(4-hydroxyphenyl)benzenesulfonamide",
      "@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-Benzenesulfonamido phenol",
      "@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=5471-90-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonamide, N-(4-hydroxyphenyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5471-90-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonanilide, 4′-hydroxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Benzenesulfonamido phenol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  ],
  "properties": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
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      "provenance": [
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          ]
        },
        {
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      "attested_by": {
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    },
    "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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      },
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  },
  "references": [
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  "created_from": {
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}

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