N-(2-cyanoethyl)-4-methyl-N,3-dinitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-4-methyl-N,3-dinitrobenzene-1-sulfonamide
N-(2-cyanoethyl)-4-methyl-N,3-dinitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8005-2582 |
| Compound Name: | N-(2-cyanoethyl)-4-methyl-N,3-dinitrobenzene-1-sulfonamide |
| Molecular Weight: | 314.27 |
| Molecular Formula: | C10 H10 N4 O6 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(N(CCC#N)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0905 |
| logD: | 1.0905 |
| logSw: | -2.3929 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 122.872 |
| InChI Key: | VSFKKWFTBQZIET-UHFFFAOYSA-N |