| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:17:30 UTC |
|---|
| Update Date | 2025-03-25 01:00:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02241263 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H9ClN2O4S |
|---|
| Molecular Mass | 263.9972 |
|---|
| SMILES | CC(=O)Nc1c(O)cc(S(N)(=O)=O)cc1Cl |
|---|
| InChI Key | YEUJPFOHYPYGPJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | anilides |
|---|
| Direct Parent | o-haloacetanilides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetamidesaminosulfonyl compoundsaryl chloridesbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshalophenolshydrocarbon derivativesm-chlorophenolsn-acetylarylaminesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amides |
|---|
| Substituents | organosulfonic acid or derivativescarbonyl groupn-acetylarylamineorganochlorideo-haloacetanilide1-hydroxy-2-unsubstituted benzenoidn-arylamideorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidebenzenesulfonyl grouparyl chloridechlorobenzene3-halophenol3-chlorophenolbenzenesulfonamideaminosulfonyl compound1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
