N-(2-cyanoethyl)-2-nitro-N-(propan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-2-nitro-N-(propan-2-yl)benzene-1-sulfonamide
N-(2-cyanoethyl)-2-nitro-N-(propan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 0338-0020 |
| Compound Name: | N-(2-cyanoethyl)-2-nitro-N-(propan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 297.33 |
| Molecular Formula: | C12 H15 N3 O4 S |
| Smiles: | CC(C)N(CCC#N)S(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5859 |
| logD: | 1.5859 |
| logSw: | -2.1605 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.218 |
| InChI Key: | DARHOTOXJCIPCL-UHFFFAOYSA-N |