A1AW1
Summary
| Name: | 2-chloro-4-(trifluoromethyl)benzene-1-sulfonamide |
| Formula: | C7 H5 Cl F3 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 259.633 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chloro-4-(trifluoromethyl)benzene-1-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-4-(trifluoromethyl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(N)(=O)c1ccc(cc1Cl)C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C7H5ClF3NO2S/c8-5-3-4(7(9,10)11)1-2-6(5)15(12,13)14/h1-3H,(H2,12,13,14) |
| InChIKey | InChI | 1.06 | ZKBZHFCXIXOBTJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1Cl)C(F)(F)F |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1Cl)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C(F)(F)F)Cl)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C(F)(F)F)Cl)S(=O)(=O)N |
