WP8
Summary
| Name: | 4-chloro-2,5-dimethyl-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide |
| Formula: | C12 H14 Cl N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 299.776 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-chloro-2,5-dimethyl-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | 4-chloranyl-2,5-dimethyl-~{N}-(2-methylpyrazol-3-yl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1ccnn1C)c1cc(C)c(Cl)cc1C |
| InChI | InChI | 1.06 | InChI=1S/C12H14ClN3O2S/c1-8-7-11(9(2)6-10(8)13)19(17,18)15-12-4-5-14-16(12)3/h4-7,15H,1-3H3 |
| InChIKey | InChI | 1.06 | ZWMLTZRACFJOBJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nccc1N[S](=O)(=O)c2cc(C)c(Cl)cc2C |
| SMILES | CACTVS | 3.385 | Cn1nccc1N[S](=O)(=O)c2cc(C)c(Cl)cc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1Cl)C)S(=O)(=O)Nc2ccnn2C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1Cl)C)S(=O)(=O)Nc2ccnn2C |
