TL;DR: 1,1'-Sulfonylbis(4-chloro-2-nitrobenzene) (CAS 144505-71-5) is a chemical compound with molecular formula C12H6Cl2N2O6S and molecular weight 375.93237 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-1-(4-chloro-2-nitrophenyl)sulfonyl-2-nitrobenzene
Also Known As: 1,1'-Sulfonylbis(4-chloro-2-nitrobenzene), bis-(4-chloro-2-nitro-phenyl) sulfone, NCI60_019672, Benzene, 1,1'-sulfonylbis[4-chloro-2-nitro-, 4-chloro-1-(4-chloro-2-nitrophenyl)sulfonyl-2-nitrobenzene
| Molecular Formula | C12H6Cl2N2O6S |
| Molecular Weight | 375.93237 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.93237 Da |
| Heavy Atoms | 23 |
| Complexity | 526.0 |
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])S(=O)(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | BMCHGTVACZAQDJ-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 1,1'-Sulfonylbis(4-chloro-2-nitrobenzene) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Sulfonylbis(4-chloro-2-nitrobenzene). Following Lipinski's Rule of Five, 1,1'-Sulfonylbis(4-chloro-2-nitrobenzene) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,1'-Sulfonylbis(4-chloro-2-nitrobenzene) is 144505-71-5.
The molecular formula of 1,1'-Sulfonylbis(4-chloro-2-nitrobenzene) is C12H6Cl2N2O6S.
The molecular weight of 1,1'-Sulfonylbis(4-chloro-2-nitrobenzene) is 375.93237 g/mol.
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