LKI
Summary
| Name: | 3-chloro-N-(4-methylpyridin-3-yl)benzene-1-sulfonamide |
| Formula: | C12 H11 Cl N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 282.746 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-chloro-N-(4-methylpyridin-3-yl)benzene-1-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | 3-chloranyl-~{N}-(4-methylpyridin-3-yl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1cnccc1C)c1cccc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C12H11ClN2O2S/c1-9-5-6-14-8-12(9)15-18(16,17)11-4-2-3-10(13)7-11/h2-8,15H,1H3 |
| InChIKey | InChI | 1.06 | XFTYNEPZRSHDOA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1N[S](=O)(=O)c2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1N[S](=O)(=O)c2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NS(=O)(=O)c2cccc(c2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NS(=O)(=O)c2cccc(c2)Cl |
