3-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-N,N-diethyl-4-methoxybenzene-1-sulfonamide
Chemical Structure Depiction of
3-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-N,N-diethyl-4-methoxybenzene-1-sulfonamide
3-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-N,N-diethyl-4-methoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V006-0131 |
| Compound Name: | 3-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-N,N-diethyl-4-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 547.05 |
| Molecular Formula: | C21 H27 Cl N4 O7 S2 |
| Salt: | not_available |
| Smiles: | CCN(CC)S(c1ccc(c(c1)N1CCN(CC1)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8005 |
| logD: | 3.8005 |
| logSw: | -4.3085 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 106.716 |
| InChI Key: | RCXXEDNXXVABNQ-UHFFFAOYSA-N |