N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(benzylcarbamamido)-2-[4-(2-fluorophenyl)piperazin-1-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(benzylcarbamamido)-2-[4-(2-fluorophenyl)piperazin-1-yl]benzene-1-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(benzylcarbamamido)-2-[4-(2-fluorophenyl)piperazin-1-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V013-2959 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(benzylcarbamamido)-2-[4-(2-fluorophenyl)piperazin-1-yl]benzene-1-sulfonamide |
| Molecular Weight: | 617.7 |
| Molecular Formula: | C32 H32 F N5 O5 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)NC(Nc1ccc(c(c1)S(NCc1ccc2c(c1)OCO2)(=O)=O)N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5986 |
| logD: | 5.5982 |
| logSw: | -5.8277 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.848 |
| InChI Key: | QULQVAKGBQCHKU-UHFFFAOYSA-N |