N-(4-bromobenzene-1-sulfonyl)-4-nitro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzamide
Chemical Structure Depiction of
N-(4-bromobenzene-1-sulfonyl)-4-nitro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzamide
N-(4-bromobenzene-1-sulfonyl)-4-nitro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzamide
Compound characteristics
| Compound ID: | 6791-0008 |
| Compound Name: | N-(4-bromobenzene-1-sulfonyl)-4-nitro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzamide |
| Molecular Weight: | 535.35 |
| Molecular Formula: | C20 H11 Br N2 O7 S2 |
| Smiles: | c1cc(ccc1C(N(c1ccc2c(c1)SC(=O)O2)S(c1ccc(cc1)[Br])(=O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6497 |
| logD: | 4.6497 |
| logSw: | -5.0075 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 101 |
| InChI Key: | WYVMQYSWMDGJBE-UHFFFAOYSA-N |