N-[(2-chlorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1)
N-[(2-chlorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0089 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 521.94 |
| Molecular Formula: | C19 H22 Cl N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1)C(CN(Cc1ccccc1[Cl])S(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8618 |
| logD: | 1.3023 |
| logSw: | -2.7031 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.695 |
| InChI Key: | AQTDNCVMOWGPCL-UHFFFAOYSA-N |