N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl)carbamoyl)-2,6-difluorobenzamide
TL;DR: N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl)carbamoyl)-2,6-difluorobenzamide (CAS 100342-16-3) is a chemical compound with molecular formula C17H12ClF5N2O3S and molecular weight 454.01773 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-methylphenyl]carbamoyl]-2,6-difluorobenzamide
Also Known As: N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl)carbamoyl)-2,6-difluorobenzamide, Benzamide, N-((4-(2-chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl)carbamoyl)-2,6-difluoro-, N-[[4-(2-chloro-1,1,2-trifluoro-ethyl)sulfinyl-2-methyl-phenyl]carbamoyl]-2,6-difluoro-benzamide, N-[[4-(2-chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl]carbamoyl]-2,6-difluorobenzamide, N-{[4-(2-Chloro-1,1,2-trifluoroethanesulfinyl)-2-methylphenyl]carbamoyl}-2,6-difluorobenzene-1-carboximidic acid
Technical Specifications
| Molecular Formula | C17H12ClF5N2O3S |
| Molecular Weight | 454.01773 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 94.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.01773 Da |
| Heavy Atoms | 29 |
| Complexity | 634.0 |
| SMILES | CC1=C(C=CC(=C1)S(=O)C(C(F)Cl)(F)F)NC(=O)NC(=O)C2=C(C=CC=C2F)F |
| InChIKey | JTIPEMUXUZKVLM-UHFFFAOYSA-N |
Chemical Property Profile of N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl)carbamoyl)-2,6-difluorobenzamide
Property Insights of N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl)carbamoyl)-2,6-difluorobenzamide
The XLogP value of 4.4 indicates that N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl)carbamoyl)-2,6-difluorobenzamide 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 N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl)carbamoyl)-2,6-difluorobenzamide. Following Lipinski's Rule of Five, N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl)carbamoyl)-2,6-difluorobenzamide has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl)carbamoyl)-2,6-difluorobenzamide?
The CAS number of N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl)carbamoyl)-2,6-difluorobenzamide is 100342-16-3.
What is the molecular formula of N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl)carbamoyl)-2,6-difluorobenzamide?
The molecular formula of N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl)carbamoyl)-2,6-difluorobenzamide is C17H12ClF5N2O3S.
What is the molecular weight of N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl)carbamoyl)-2,6-difluorobenzamide?
The molecular weight of N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl)carbamoyl)-2,6-difluorobenzamide is 454.01773 g/mol.
Where can I buy N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl)carbamoyl)-2,6-difluorobenzamide?
You can request a quote for N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl)carbamoyl)-2,6-difluorobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl)carbamoyl)-2,6-difluorobenzamide?
Yes, CoreyChem provides custom synthesis services for N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-methylphenyl)carbamoyl)-2,6-difluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.