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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:44 UTC
Update Date2025-03-25 00:59:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239488
Frequency0.5
Structure
Chemical FormulaC13H12ClN3O2S
Molecular Mass309.0339
SMILESN=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1ccccc1
InChI KeyRVVOQGBGVVJWRM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent benzenesulfonamides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • aryl chlorides
  • benzenesulfonyl compounds
  • chlorobenzenes
  • guanidines
  • hydrocarbon derivatives
  • imines
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • organosulfonic acids and derivatives
  • Substituents
  • organosulfonic acid or derivatives
  • guanidine
  • imine
  • organochloride
  • organosulfur compound
  • organohalogen compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • benzenesulfonyl group
  • aryl chloride
  • chlorobenzene
  • benzenesulfonamide
  • aminosulfonyl compound
  • aryl halide
  • aromatic homomonocyclic compound
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene