| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:52 UTC |
|---|
| Update Date | 2025-03-25 00:59:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02237534 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H14ClN3O5S |
|---|
| Molecular Mass | 407.0343 |
|---|
| SMILES | NS(=O)(=O)c1cc(C(=O)O)c(NC(=O)Cc2c[nH]c3ccccc23)cc1Cl |
|---|
| InChI Key | RJZRUAGXHWMDKW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | acylaminobenzoic acid and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds4-halobenzoic acidsaminosulfonyl compoundsanilidesaryl chloridesazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundschlorobenzeneshalobenzoic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonamidespyrrolessecondary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | carboxylic acidorganochloridebenzoylorganonitrogen compound1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundbenzenesulfonyl grouparyl chloridechlorobenzenevinylogous amidehalobenzoic acidacylaminobenzoic acid or derivativesbenzenesulfonamide4-halobenzoic acidazacycleheteroaromatic compoundaryl halide4-halobenzoic acid or derivativessecondary carboxylic acid amidepyrrolehydrocarbon derivativehalobenzeneorganosulfonic acid or derivativescarbonyl groupindolen-arylamideorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganopnictogen compoundbenzoic acidaminosulfonyl compoundindole or derivativeshalobenzoic acid or derivativescarboxamide groupanilidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganic nitrogen compoundorganooxygen compound |
|---|
