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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:29 UTC
Update Date2025-03-21 18:39:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125829
Frequency20.4
Structure
Chemical FormulaC7H3Cl3N2O3S
Molecular Mass299.893
SMILESN#Cc1c(O)c(Cl)c(Cl)c(S(N)(=O)=O)c1Cl
InChI KeyUTUWQFXQZBFBRF-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
  • benzonitriles
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • m-chlorophenols
  • nitriles
  • o-chlorophenols
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonamides
    • Substituents
  • organosulfonic acid or derivatives
  • nitrile
  • organochloride
  • organosulfur compound
  • organohalogen compound
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • carbonitrile
  • benzenesulfonyl group
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • 3-halophenol
  • 3-chlorophenol
  • benzenesulfonamide
  • aminosulfonyl compound
  • benzonitrile
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound