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 |