N-(4-bromophenyl)-4-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(4-bromophenyl)-4-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzene-1-sulfonamide
N-(4-bromophenyl)-4-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8003-3799 |
| Compound Name: | N-(4-bromophenyl)-4-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzene-1-sulfonamide |
| Molecular Weight: | 597.36 |
| Molecular Formula: | C24 H13 Br N4 O8 S |
| Smiles: | c1cc(ccc1NS(c1ccc(cc1)N1C(c2cc(cc3cc(cc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O)(=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3657 |
| logD: | 4.242 |
| logSw: | -4.657 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 135.655 |
| InChI Key: | CZZUQKCLRVZQSE-UHFFFAOYSA-N |