Hmdb loader

Showing information for DMID02245474

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:18 UTC
Update Date2025-03-25 01:00:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245474
Frequency0.5
Structure
Chemical FormulaC19H24ClN3O4S
Molecular Mass425.1176
SMILESCCN(CC)Cc1ccc(CNc2cc(Cl)c(S(N)(=O)=O)cc2C(=O)O)cc1
InChI KeyYYAWMUGPKKQVAE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent benzenesulfonamides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 4-halobenzoic acids
  • amino acids
  • aminosulfonyl compounds
  • aryl chlorides
  • benzenesulfonyl compounds
  • benzoic acids
  • benzoyl derivatives
  • benzylamines
  • chlorobenzenes
  • halobenzoic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonamides
  • phenylalkylamines
  • phenylmethylamines
  • secondary alkylarylamines
  • trialkylamines
  • vinylogous amides
    • Substituents
  • organosulfonic acid or derivatives
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • organochloride
  • benzoyl
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • aralkylamine
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • tertiary amine
  • benzenesulfonyl group
  • aryl chloride
  • chlorobenzene
  • vinylogous amide
  • halobenzoic acid
  • benzenesulfonamide
  • 4-halobenzoic acid
  • aminosulfonyl compound
  • tertiary aliphatic amine
  • benzoic acid or derivatives
  • halobenzoic acid or derivatives
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aryl halide
  • 4-halobenzoic acid or derivatives
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • phenylmethylamine
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • benzylamine
  • phenylalkylamine
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • amine
  • organooxygen compound