A1BZP
Summary
| Name: | 3-fluoro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide |
| Formula: | C12 H14 F N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 283.322 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-fluoro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide |
| OpenEye OEToolkits | 3.1.0.0 | 3-fluoranyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1nn(C)c(C)c1NS(=O)(=O)c1cccc(F)c1 |
| InChI | InChI | 1.06 | InChI=1S/C12H14FN3O2S/c1-8-12(9(2)16(3)14-8)15-19(17,18)11-6-4-5-10(13)7-11/h4-7,15H,1-3H3 |
| InChIKey | InChI | 1.06 | BHTDVQOGSRZECO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C)c(N[S](=O)(=O)c2cccc(F)c2)c1C |
| SMILES | CACTVS | 3.385 | Cn1nc(C)c(N[S](=O)(=O)c2cccc(F)c2)c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c(c(n(n1)C)C)NS(=O)(=O)c2cccc(c2)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c(c(n(n1)C)C)NS(=O)(=O)c2cccc(c2)F |
