N-[(4-fluorophenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1)
N-[(4-fluorophenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0504 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 555.57 |
| Molecular Formula: | C19 H24 F N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1)S(CCN(Cc1ccc(cc1)F)S(c1ccccc1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4194 |
| logD: | 1.0747 |
| logSw: | -2.3176 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.158 |
| InChI Key: | SPSZMIFNFHGYIB-UHFFFAOYSA-N |