N-[(2-chlorophenyl)methyl]-4-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(2-chlorophenyl)methyl]-4-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0072 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 586.05 |
| Molecular Formula: | C20 H26 Cl N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)S(N(CCS(N1CCNCC1)(=O)=O)Cc1ccccc1[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6145 |
| logD: | 2.2699 |
| logSw: | -3.4102 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.158 |
| InChI Key: | XHDXMSICZFOTCC-UHFFFAOYSA-N |