5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]-2-nitroaniline
Chemical Structure Depiction of
5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]-2-nitroaniline
5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]-2-nitroaniline
Compound characteristics
| Compound ID: | 3610-1203 |
| Compound Name: | 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]-2-nitroaniline |
| Molecular Weight: | 486.98 |
| Molecular Formula: | C23 H23 Cl N4 O4 S |
| Smiles: | C(c1ccc(cc1)[Cl])Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5609 |
| logD: | 4.5609 |
| logSw: | -4.8114 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.827 |
| InChI Key: | CDRQRJOQAPYQES-UHFFFAOYSA-N |