| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:35 UTC |
|---|
| Update Date | 2025-03-25 00:59:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02239127 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H14FN3O3S |
|---|
| Molecular Mass | 359.074 |
|---|
| SMILES | NC(=O)c1ccc(-c2ccc(F)cc2)n1-c1ccc(S(N)(=O)=O)cc1 |
|---|
| InChI Key | MYRYUKXDDXDJPY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonamides |
|---|
| Direct Parent | benzenesulfonamides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-heteroaryl carboxamidesaminosulfonyl compoundsaryl fluoridesazacyclic compoundsbenzenesulfonyl compoundscarboxylic acids and derivativesfluorobenzenesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesprimary carboxylic acid amidespyrrole carboxamidessubstituted pyrroles |
|---|
| Substituents | aryl fluorideprimary carboxylic acid amideorganosulfonic acid or derivativesaromatic heteromonocyclic compoundsubstituted pyrroleorganosulfur compoundcarboxylic acid derivativeorganohalogen compound2-heteroaryl carboxamideorganosulfonic acid amidefluorobenzeneorganic oxidepyrrole-2-carboxylic acid or derivativesorganonitrogen compoundorganopnictogen compoundpyrrole-2-carboxamideorganoheterocyclic compoundbenzenesulfonyl groupbenzenesulfonamideazacycleaminosulfonyl compoundorganofluorideheteroaromatic compoundcarboxamide grouparyl halidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativespyrrolehydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
