TL;DR: Benzamide, N-(((4-((2-chloro-1,1,2-trifluoroethyl)sulfinyl)-2,5- dimethylphenyl)amino)carbonyl)-2,6-difluoro- (CAS 100342-11-8) is a chemical compound with molecular formula C18H14ClF5N2O3S and molecular weight 468.0334 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[4-(2-chloro-1,1,2-trifluoroethyl)sulfinyl-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
Also Known As: Benzamide, N-(((4-((2-chloro-1,1,2-trifluoroethyl)sulfinyl)-2,5- dimethylphenyl)amino)carbonyl)-2,6-difluoro-, Benzamide, N-(((4-((2-chloro-1,1,2-trifluoroethyl)sulfinyl)-2,5-dimethylphenyl)amino)carbonyl)-2,6-difluoro-, N-[[4-(2-chloro-1,1,2-trifluoroethyl)sulfinyl-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide, N-{[4-(2-Chloro-1,1,2-trifluoroethanesulfinyl)-2,5-dimethylphenyl]carbamoyl}-2,6-difluorobenzene-1-carboximidic acid
| Molecular Formula | C18H14ClF5N2O3S |
| Molecular Weight | 468.0334 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 94.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.0334 Da |
| Heavy Atoms | 30 |
| Complexity | 664.0 |
| SMILES | CC1=CC(=C(C=C1S(=O)C(C(F)Cl)(F)F)C)NC(=O)NC(=O)C2=C(C=CC=C2F)F |
| InChIKey | OTSINPJLWYNOBQ-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that Benzamide, N-(((4-((2-chloro-1,1,2-trifluoroethyl)sulfinyl)-2,5- dimethylphenyl)amino)carbonyl)-2,6-difluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, N-(((4-((2-chloro-1,1,2-trifluoroethyl)sulfinyl)-2,5- dimethylphenyl)amino)carbonyl)-2,6-difluoro-. Following Lipinski's Rule of Five, Benzamide, N-(((4-((2-chloro-1,1,2-trifluoroethyl)sulfinyl)-2,5- dimethylphenyl)amino)carbonyl)-2,6-difluoro- has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzamide, N-(((4-((2-chloro-1,1,2-trifluoroethyl)sulfinyl)-2,5- dimethylphenyl)amino)carbonyl)-2,6-difluoro- is 100342-11-8.
The molecular formula of Benzamide, N-(((4-((2-chloro-1,1,2-trifluoroethyl)sulfinyl)-2,5- dimethylphenyl)amino)carbonyl)-2,6-difluoro- is C18H14ClF5N2O3S.
The molecular weight of Benzamide, N-(((4-((2-chloro-1,1,2-trifluoroethyl)sulfinyl)-2,5- dimethylphenyl)amino)carbonyl)-2,6-difluoro- is 468.0334 g/mol.
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