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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:13 UTC
Update Date2025-03-21 18:36:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00108434
Frequency24.7
Structure
Chemical FormulaC8H10ClN3O2S
Molecular Mass247.0182
SMILESNS(=O)(=O)c1cc2c(cc1Cl)NCCN2
InChI KeyKFQANLFKDMQGQP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • organosulfonamides
    • Substituents
  • aryl chloride
  • organosulfonic acid or derivatives
  • azacycle
  • aminosulfonyl compound
  • organochloride
  • organosulfur compound
  • organohalogen compound
  • secondary aliphatic/aromatic amine
  • aryl halide
  • organosulfonic acid amide
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organic sulfonic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound