N-(2-cyanoethyl)-N-methyl-4'-nitro[1,1'-biphenyl]-4-sulfonamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-N-methyl-4'-nitro[1,1'-biphenyl]-4-sulfonamide
N-(2-cyanoethyl)-N-methyl-4'-nitro[1,1'-biphenyl]-4-sulfonamide
Compound characteristics
| Compound ID: | 0180-0392 |
| Compound Name: | N-(2-cyanoethyl)-N-methyl-4'-nitro[1,1'-biphenyl]-4-sulfonamide |
| Molecular Weight: | 345.37 |
| Molecular Formula: | C16 H15 N3 O4 S |
| Smiles: | CN(CCC#N)S(c1ccc(cc1)c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9821 |
| logD: | 2.9821 |
| logSw: | -3.6302 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.654 |
| InChI Key: | AUICVIVIEGJBBS-UHFFFAOYSA-N |