| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:13:54 UTC |
|---|
| Update Date | 2025-03-21 18:33:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00095348 |
|---|
| Frequency | 29.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H6ClNO4S |
|---|
| Molecular Mass | 234.9706 |
|---|
| SMILES | NS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1 |
|---|
| InChI Key | RUOXWQNWRLQUBE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonamides |
|---|
| Direct Parent | benzenesulfonamides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halobenzoic acidsaminosulfonyl compoundsaryl chloridesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganochloridesorganooxygen compoundsorganosulfonamidesvinylogous halides |
|---|
| Substituents | organosulfonic acid or derivatives2-halobenzoic acidcarboxylic acidorganochloridebenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidbenzenesulfonyl grouparyl chloridechlorobenzenehalobenzoic acidbenzenesulfonamideaminosulfonyl compoundbenzoic acid or derivativeshalobenzoic acid or derivativesvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
