N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-4-nitro-N-pentylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-4-nitro-N-pentylbenzene-1-sulfonamide
N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-4-nitro-N-pentylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V014-0548 |
| Compound Name: | N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-4-nitro-N-pentylbenzene-1-sulfonamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C23 H27 N3 O4 S |
| Smiles: | CCCCCN(Cc1cccn1Cc1ccccc1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6227 |
| logD: | 5.6227 |
| logSw: | -5.4289 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.044 |
| InChI Key: | YVIRWAVBLHOQSR-UHFFFAOYSA-N |