N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzene-1-sulfonamide
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y032-1472 |
| Compound Name: | N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 425.48 |
| Molecular Formula: | C20 H15 N3 O4 S2 |
| Smiles: | Cc1ccc2c(c1)sc(c1ccc(cc1)NS(c1ccc(cc1)[N+]([O-])=O)(=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.3046 |
| logD: | 5.2303 |
| logSw: | -5.3946 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.718 |
| InChI Key: | BMQZACYYCVFION-UHFFFAOYSA-N |