| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:08:37 UTC |
|---|
| Update Date | 2025-03-21 18:30:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00082868 |
|---|
| Frequency | 34.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H16F3N3O2S |
|---|
| Molecular Mass | 395.0915 |
|---|
| SMILES | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c(C)c1 |
|---|
| InChI Key | CDMHSMOZNZFYIK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | azoles |
|---|
| Subclass | pyrazoles |
|---|
| Direct Parent | phenylpyrazoles |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl fluoridesaminosulfonyl compoundsazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesm-xylenes |
|---|
| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compoundorganosulfur compoundorganohalogen compoundorganosulfonic acid amidexylenephenylpyrazoleorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidebenzenesulfonyl groupbenzenesulfonamideazacycleaminosulfonyl compoundalkyl fluorideorganofluorideheteroaromatic compoundm-xylenesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound |
|---|
