N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-nitro-N-(propan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-nitro-N-(propan-2-yl)benzene-1-sulfonamide
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-nitro-N-(propan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | C599-0289 |
| Compound Name: | N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-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(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5104 |
| logD: | 4.5104 |
| logSw: | -4.7814 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.82 |
| InChI Key: | ITVUZZCTNQXFNV-UHFFFAOYSA-N |