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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:17 UTC
Update Date2025-03-25 01:00:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02240744
Frequency0.5
Structure
Chemical FormulaC12H11ClN2O3S
Molecular Mass298.0179
SMILESCC(=O)Nc1cccc2cc(Cl)c(S(N)(=O)=O)cc12
InChI KeyRTAACOJZYPMGAC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalene sulfonic acids and derivatives
Direct Parent 2-naphthalene sulfonamides
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 2-naphthalene sulfonic acids and derivatives
  • acetamides
  • aminosulfonyl compounds
  • aryl chlorides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • chloronaphthalenes
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • organosulfonamides
  • secondary carboxylic acid amides
    • Substituents
  • organosulfonic acid or derivatives
  • carbonyl group
  • n-acetylarylamine
  • organochloride
  • n-arylamide
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • 2-naphthalene sulfonamide
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • aryl chloride
  • aminosulfonyl compound
  • chloronaphthalene
  • aromatic homopolycyclic compound
  • carboxamide group
  • aryl halide
  • 2-naphthalene sulfonic acid or derivatives
  • secondary carboxylic acid amide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound