Consensus flow list

Identity

Type
Neutral molecule
CAS
121-30-2
EC
204-463-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-amino-6-chlorobenzene-1,3-disulfonamide

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IHJCXVZDYSXXFT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
IUPAC name chemrof:IUPAC_name 4-amino-6-chlorobenzene-1,3-disulfonamide
Molecular formula chemrof:molecular_formula C6H8ClN3O4S2
Molecular mass chemrof:molecular_mass 285.734
Monoisotopic mass chemrof:monoisotopic_mass 284.964475, 284.96448
SMILES string chemrof:smiles_string Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O

Known URLs

16

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=121-30-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3602 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.058 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1059521 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=93772 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL266240 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3A52O8YREJ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J40.701A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07460 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07460 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67822 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:I7B enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/4353DK2RKYFA enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/67136 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=498726 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27106146 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f703a5fd-5968-48b9-a9d3-4d3d94d53328 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3ed3eb2e-c55c-4d39-8fc8-687a96b43beb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9f3af497-bc28-4324-9096-f87ceb2a0cb8 Environmental → Air → Indoor EF 3.1 kg 2
a93d34c8-9ac5-425b-aa89-9ba14cecff56 Environmental → Air → Long-term EF 3.1 kg 0
cd6a9213-5fe4-41cc-989b-a2e25edd96f5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ccb8abce-50a6-4378-a0bb-89253ef24c68 Environmental → Air → Unknown EF 3.1 kg 2
a068d457-739f-4700-8a3c-bff9bf9e18b3 Environmental → Ground → Agricultural EF 3.1 kg 2
0fc3e571-058b-40a4-be94-257ef09cb728 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c6fc75ef-7198-4e5b-911e-1897a1bbc1da Environmental → Ground → Unknown EF 3.1 kg 2
328a181f-7c8a-4810-a3d5-85431567a5d7 Environmental → Water → Long-term EF 3.1 kg 0
553b6fbe-63ff-4ce1-af57-15abf02b0a26 Environmental → Water → Ocean EF 3.1 kg 2
92ae533e-de9e-496b-950f-fbc32487c326 Environmental → Water → Surface water EF 3.1 kg 2
706a8c37-585b-4f91-93e6-0da73e8f3a9b 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-f1cae6517e96ae26",
  "prefLabel": [
    {
      "@value": "4-amino-6-chlorobenzene-1,3-disulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Benzenedisulfonamide, 4-amino-6-chloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Amino-5-chloro-2,4-benzenedisulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=121-30-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Chloro-4,6-disulfamoylaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "4-Amino-6-chloro-1,3-benzenedisulfonamide",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Amino-6-chloro-m-benzenedisulfonamide",
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    },
    {
      "@value": "4-Amino-6-chlorobenzene-1,3-disulphonamide",
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    },
    {
      "@value": "5-Chloro-2,4-disulfamoylaniline",
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      }
    },
    {
      "@value": "Chloraminophenamide",
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    },
    {
      "@value": "Chloroaminophenamide",
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    {
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