| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:48:00 UTC |
|---|
| Update Date | 2025-03-21 18:01:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00033731 |
|---|
| Frequency | 107.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H14F3N3O3S |
|---|
| Molecular Mass | 397.0708 |
|---|
| SMILES | COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 |
|---|
| InChI Key | NAWWYLUQZOLWBT-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 aryl ethersalkyl fluoridesaminosulfonyl compoundsanisolesazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenoxy compounds |
|---|
| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietyetheraromatic heteromonocyclic compoundalkyl aryl etherorganosulfur compoundorganohalogen compoundorganosulfonic acid amidephenylpyrazoleorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidebenzenesulfonyl groupbenzenesulfonamideazacycleaminosulfonyl compoundalkyl fluorideorganofluorideheteroaromatic compoundmethoxybenzenesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
