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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:50 UTC
Update Date2025-03-25 00:53:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02198553
Frequency0.5
Structure
Chemical FormulaC10H13ClN4O2S
Molecular Mass288.0448
SMILESNS(=O)(=O)c1ccc(NCC2=NCCN2)cc1Cl
InChI KeyJOASLELUQNLOGA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent benzenesulfonamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amidines
  • aminosulfonyl compounds
  • aryl chlorides
  • azacyclic compounds
  • benzenesulfonyl compounds
  • carboximidamides
  • chlorobenzenes
  • hydrocarbon derivatives
  • imidazolines
  • imidolactams
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • organosulfonamides
  • phenylalkylamines
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alkylarylamines
    • Substituents
  • organosulfonic acid or derivatives
  • aromatic heteromonocyclic compound
  • organochloride
  • amidine
  • organosulfur compound
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • benzenesulfonyl group
  • aryl chloride
  • chlorobenzene
  • benzenesulfonamide
  • azacycle
  • aminosulfonyl compound
  • organic 1,3-dipolar compound
  • carboximidamide
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aryl halide
  • sulfonyl
  • organic oxygen compound
  • 2-imidazoline
  • organic sulfonic acid or derivatives
  • imidazoline
  • phenylalkylamine
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • amine