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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:39 UTC
Update Date2025-03-25 00:59:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239276
Frequency0.5
Structure
Chemical FormulaC12H9Cl2N3O3S
Molecular Mass344.9742
SMILESN#Cc1c(NCc2ccco2)cc(Cl)c(S(N)(=O)=O)c1Cl
InChI KeyMPAKWOOWXUBLFK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent benzenesulfonamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • aryl chlorides
  • benzenesulfonyl compounds
  • benzonitriles
  • dichlorobenzenes
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • nitriles
  • organic oxides
  • organochlorides
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonamides
  • oxacyclic compounds
  • phenylalkylamines
  • secondary alkylarylamines
    • Substituents
  • furan
  • organosulfonic acid or derivatives
  • nitrile
  • aromatic heteromonocyclic compound
  • organochloride
  • organosulfur compound
  • organohalogen compound
  • 1,3-dichlorobenzene
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • carbonitrile
  • organoheterocyclic compound
  • benzenesulfonyl group
  • aryl chloride
  • chlorobenzene
  • benzenesulfonamide
  • aminosulfonyl compound
  • heteroaromatic compound
  • secondary amine
  • benzonitrile
  • secondary aliphatic/aromatic amine
  • aryl halide
  • oxacycle
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • phenylalkylamine
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • amine
  • organooxygen compound