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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:21 UTC
Update Date2025-03-25 00:55:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02211394
Frequency0.5
Structure
Chemical FormulaC8H9ClN2O4S
Molecular Mass263.9972
SMILESCC(=O)Nc1c(O)ccc(Cl)c1S(N)(=O)=O
InChI KeyGZWJGHOOUHTPII-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent m-haloacetanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetamides
  • aminosulfonyl compounds
  • aryl chlorides
  • benzenesulfonamides
  • benzenesulfonyl compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • organosulfonamides
  • p-chlorophenols
  • secondary carboxylic acid amides
    • Substituents
  • organosulfonic acid or derivatives
  • carbonyl group
  • n-acetylarylamine
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • n-arylamide
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • organosulfonic acid amide
  • organic oxide
  • 4-halophenol
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • benzenesulfonyl group
  • aryl chloride
  • chlorobenzene
  • benzenesulfonamide
  • aminosulfonyl compound
  • 4-chlorophenol
  • carboxamide group
  • aryl halide
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • m-haloacetanilide
  • organooxygen compound