4,5,6,7-tetrachloro-2-[4-(4-nitrobenzene-1-sulfonyl)phenyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
4,5,6,7-tetrachloro-2-[4-(4-nitrobenzene-1-sulfonyl)phenyl]-1H-isoindole-1,3(2H)-dione
4,5,6,7-tetrachloro-2-[4-(4-nitrobenzene-1-sulfonyl)phenyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K212-0011 |
| Compound Name: | 4,5,6,7-tetrachloro-2-[4-(4-nitrobenzene-1-sulfonyl)phenyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 546.17 |
| Molecular Formula: | C20 H8 Cl4 N2 O6 S |
| Smiles: | c1cc(ccc1[N+]([O-])=O)S(c1ccc(cc1)N1C(c2c(C1=O)c(c(c(c2[Cl])[Cl])[Cl])[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9987 |
| logD: | 4.9987 |
| logSw: | -6.0778 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.762 |
| InChI Key: | WRUIVFCFDATVKS-UHFFFAOYSA-N |