N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-(3-methylpiperidine-1-sulfonyl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-(3-methylpiperidine-1-sulfonyl)benzene-1-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-(3-methylpiperidine-1-sulfonyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | D207-0116 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-(3-methylpiperidine-1-sulfonyl)benzene-1-sulfonamide |
| Molecular Weight: | 560.66 |
| Molecular Formula: | C27 H29 F N2 O6 S2 |
| Smiles: | CC1CCCN(C1)S(c1ccc(cc1)S(N(Cc1ccc2c(c1)OCO2)Cc1ccccc1F)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1534 |
| logD: | 5.1534 |
| logSw: | -5.0654 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 80.102 |
| InChI Key: | AUVXZMZYIMQPGS-FQEVSTJZSA-N |