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Record Information
HMDB Statusdetected
Creation Date2024-02-20 23:42:43 UTC
Update Date2025-03-21 17:59:30 UTC
HMDB IDHMDB0246504
Metabolite Identification
DeepMet IDDMID00021376
NameP-Toluenesulfonamide
Frequency187.3
Structure
Chemical FormulaC7H9NO2S
Molecular Mass171.0354
SMILESCc1ccc(S(N)(=O)=O)cc1
InChI KeyLMYRWZFENFIFIT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass toluenes
Direct Parent p-toluenesulfonamides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • benzenesulfonamides
  • benzenesulfonyl compounds
  • hydrocarbon derivatives
  • organic nitrogen compounds
  • organic oxides
  • organosulfonamides
  • Substituents
  • organosulfonic acid or derivatives
  • benzenesulfonamide
  • aminosulfonyl compound
  • p-toluenesulfonamide
  • organosulfur compound
  • organosulfonic acid amide
  • aromatic homomonocyclic compound
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • benzenesulfonyl group