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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:18 UTC
Update Date2025-03-25 00:46:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154222
Frequency0.5
Structure
Chemical FormulaC9H11ClN2O4S
Molecular Mass278.0128
SMILESCOc1cc(Cl)c(NC(C)=O)cc1S(N)(=O)=O
InChI KeySTYQCVAABZCLQG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent o-haloacetanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • alkyl aryl ethers
  • aminosulfonyl compounds
  • anisoles
  • aryl chlorides
  • benzenesulfonamides
  • benzenesulfonyl compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • chlorobenzenes
  • hydrocarbon derivatives
  • methoxybenzenes
  • n-acetylarylamines
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • organosulfonamides
  • phenoxy compounds
  • secondary carboxylic acid amides
    • Substituents
  • phenol ether
  • organosulfonic acid or derivatives
  • carbonyl group
  • ether
  • n-acetylarylamine
  • organochloride
  • o-haloacetanilide
  • n-arylamide
  • alkyl aryl ether
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • benzenesulfonyl group
  • aryl chloride
  • chlorobenzene
  • benzenesulfonamide
  • aminosulfonyl compound
  • carboxamide group
  • methoxybenzene
  • aryl halide
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • organooxygen compound