N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-nitro-N-(propan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-nitro-N-(propan-2-yl)benzene-1-sulfonamide
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-nitro-N-(propan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | C599-0254 |
| Compound Name: | N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-nitro-N-(propan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 436.87 |
| Molecular Formula: | C18 H17 Cl N4 O5 S |
| Smiles: | CC(C)N(Cc1nc(c2ccc(cc2)[Cl])no1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8243 |
| logD: | 4.8243 |
| logSw: | -5.0296 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.12 |
| InChI Key: | DNVORZGSSWXUAT-UHFFFAOYSA-N |