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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:59 UTC
Update Date2025-03-25 00:47:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160155
Frequency0.5
Structure
Chemical FormulaC9H9N3O2S2
Molecular Mass255.0136
SMILESNc1nc(-c2ccc(S(N)(=O)=O)cc2)cs1
InChI KeyUBNIUEJDWAWLCJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent benzenesulfonamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2,4-disubstituted thiazoles
  • aminosulfonyl compounds
  • azacyclic compounds
  • benzenesulfonyl compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfonamides
  • primary amines
  • Substituents
  • organosulfonic acid or derivatives
  • aromatic heteromonocyclic compound
  • organosulfur compound
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azole
  • benzenesulfonyl group
  • benzenesulfonamide
  • azacycle
  • aminosulfonyl compound
  • heteroaromatic compound
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • 2,4-disubstituted 1,3-thiazole
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • thiazole
  • amine