TL;DR: 1,2-Dichloro-4-[[(dimethylamino)carbonyl](methylsulfonyl)amino]benzene (CAS 115973-67-6) is a chemical compound with molecular formula C10H12Cl2N2O3S and molecular weight 309.99457 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dichlorophenyl)-3,3-dimethyl-1-methylsulfonylurea
Also Known As: 1-(3,4-dichlorophenyl)-3,3-dimethyl-1-methylsulfonyl-urea, 1-(3,4-dichlorophenyl)-3,3-dimethyl-1-methylsulfonylurea, 1-(3,4-dichlorophenyl)-3,3-dimethyl-1-(methylsulfonyl)urea, 1,2-dichloro-4-[[(dimethylamino)carbonyl](methylsulfonyl)amino]benzene
| Molecular Formula | C10H12Cl2N2O3S |
| Molecular Weight | 309.99457 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.99457 Da |
| Heavy Atoms | 18 |
| Complexity | 408.0 |
| SMILES | CN(C)C(=O)N(C1=CC(=C(C=C1)Cl)Cl)S(=O)(=O)C |
| InChIKey | QGHDQZJUTDTVPA-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dichloro-4-[[(dimethylamino)carbonyl](methylsulfonyl)amino]benzene. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dichloro-4-[[(dimethylamino)carbonyl](methylsulfonyl)amino]benzene. Following Lipinski's Rule of Five, 1,2-Dichloro-4-[[(dimethylamino)carbonyl](methylsulfonyl)amino]benzene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,2-Dichloro-4-[[(dimethylamino)carbonyl](methylsulfonyl)amino]benzene is 115973-67-6.
The molecular formula of 1,2-Dichloro-4-[[(dimethylamino)carbonyl](methylsulfonyl)amino]benzene is C10H12Cl2N2O3S.
The molecular weight of 1,2-Dichloro-4-[[(dimethylamino)carbonyl](methylsulfonyl)amino]benzene is 309.99457 g/mol.
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