N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(methanesulfonyl)amino]benzene-1-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(methanesulfonyl)amino]benzene-1-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(methanesulfonyl)amino]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V013-6197 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(methanesulfonyl)amino]benzene-1-sulfonamide |
| Molecular Weight: | 562.64 |
| Molecular Formula: | C25 H27 F N4 O6 S2 |
| Salt: | not_available |
| Smiles: | CS(Nc1ccc(c(c1)S(NCc1ccc2c(c1)OCO2)(=O)=O)N1CCN(CC1)c1ccccc1F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8066 |
| logD: | 3.5103 |
| logSw: | -3.9791 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.09 |
| InChI Key: | JNWNFWAKEBSWTH-UHFFFAOYSA-N |