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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:42 UTC
Update Date2025-03-25 00:58:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230299
Frequency0.5
Structure
Chemical FormulaC8H12ClN3O4S2
Molecular Mass312.9958
SMILESCN(C)c1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O
InChI KeyVHYOSXHYMHIEEW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent aminobenzenesulfonamides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • aniline and substituted anilines
  • aryl chlorides
  • benzenesulfonyl compounds
  • chlorobenzenes
  • dialkylarylamines
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • organosulfonamides
  • Substituents
  • organosulfonic acid or derivatives
  • aminobenzenesulfonamide
  • organochloride
  • organosulfur compound
  • organohalogen compound
  • organosulfonic acid amide
  • organic oxide
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • benzenesulfonyl group
  • aryl chloride
  • chlorobenzene
  • aminosulfonyl compound
  • aniline or substituted anilines
  • aryl halide
  • aromatic homomonocyclic compound
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • amine