4-chloro-N-[2-(piperazine-1-sulfonyl)ethyl]-N-propylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-chloro-N-[2-(piperazine-1-sulfonyl)ethyl]-N-propylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-chloro-N-[2-(piperazine-1-sulfonyl)ethyl]-N-propylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0608 |
| Compound Name: | 4-chloro-N-[2-(piperazine-1-sulfonyl)ethyl]-N-propylbenzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 523.98 |
| Molecular Formula: | C15 H24 Cl N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | CCCN(CCS(N1CCNCC1)(=O)=O)S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.511 |
| logD: | 1.1663 |
| logSw: | -2.7232 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.408 |
| InChI Key: | JDCUBDQSECRMRJ-UHFFFAOYSA-N |