N-ethyl-4-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-ethyl-4-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-ethyl-4-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0453 |
| Compound Name: | N-ethyl-4-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C15 H25 N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | CCN(CCS(N1CCNCC1)(=O)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7457 |
| logD: | 0.401 |
| logSw: | -2.344 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.154 |
| InChI Key: | YEQXOZZERWFSNQ-UHFFFAOYSA-N |