Consensus flow list

Identity

Type
Neutral molecule
CAS
52298-44-9
EC
257-821-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

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

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NFYQAEPHDGXJSY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H16N2O4S/c1-19-12-9-14(13(20-2)8-11(12)15)21(17,18)16-10-6-4-3-5-7-10/h3-9,16H,15H2,1-2H3
IUPAC name chemrof:IUPAC_name 2,5-Dimethoxysulfanilanilide
Molecular formula chemrof:molecular_formula C14H16N2O4S
Molecular mass chemrof:molecular_mass 308.359
Monoisotopic mass chemrof:monoisotopic_mass 308.083078
SMILES string chemrof:smiles_string COc1cc(S(=O)(=O)Nc2ccccc2)c(OC)cc1N

Known URLs

8

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=52298-44-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.052.548 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2044686 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184412 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/54S41P93BI enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J64.452H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/104143 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27261234 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
dc739936-0043-4bfc-b29b-5ce52016f842 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a8a4b8c9-c48a-4753-a2da-ead4cb7a55a0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1ea613b4-8eff-44d4-975e-14d8278302e8 Environmental → Air → Indoor EF 3.1 kg 2
55ed1ca4-436e-482a-89e7-32e8eb14b728 Environmental → Air → Long-term EF 3.1 kg 0
4ceccfb6-ba48-4edb-ae6e-7cf3ff66302c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9797fa23-ff9e-45cf-b897-8e3b2c641c22 Environmental → Air → Unknown EF 3.1 kg 2
6aec9c47-0e8e-4514-9175-0c937896a51e Environmental → Ground → Agricultural EF 3.1 kg 2
2f108be3-6d07-4fae-bafb-ab9455a64b1f Environmental → Ground → Non-agricultural EF 3.1 kg 2
44fa2ffa-f0fb-4c01-ab46-961b45ddfe62 Environmental → Ground → Unknown EF 3.1 kg 2
06f667da-8005-4188-8390-e289ac60b58e Environmental → Water → Long-term EF 3.1 kg 0
f421e382-a4e1-4def-b5df-88bdc9e20327 Environmental → Water → Ocean EF 3.1 kg 2
ba0b802e-c8eb-4c89-890a-e2fc74fc267d Environmental → Water → Surface water EF 3.1 kg 2
0f3564db-ff11-4183-a1de-a008a89ef3ed 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-0be7912e2d629603",
  "prefLabel": [
    {
      "@value": "4-amino-2,5-dimethoxy-n-phenylbenzenesulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,5-Dimethoxysulfanilanilide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,5-Dimethoxysulfanilic acid anilide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(Anilinosulfonyl)-2,5-dimethoxyaniline",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Benzenesulfonamide, 4-amino-2,5-dimethoxy-N-phenyl-",
      "@language": "en",
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    },
    {
      "@value": "Sulfanilanilide, 2,5-dimethoxy-",
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