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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:17 UTC
Update Date2025-03-25 00:56:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218191
Frequency0.5
Structure
Chemical FormulaC13H13ClN2O4S
Molecular Mass328.0285
SMILESN#Cc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1Cl
InChI KeyKGUFCRGWBKJIEA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent benzenesulfonamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • benzenesulfonyl compounds
  • benzonitriles
  • carbonyl compounds
  • carboxylic acids
  • chlorobenzenes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • nitriles
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • piperidinecarboxylic acids
  • piperidines
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • carbonyl group
  • nitrile
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • organochloride
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • piperidinecarboxylic acid
  • piperidine
  • carbonitrile
  • organoheterocyclic compound
  • benzenesulfonyl group
  • aryl chloride
  • chlorobenzene
  • benzenesulfonamide
  • azacycle
  • benzonitrile
  • aryl halide
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound