![5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide structure](/static/products/4380/438030-05-8.webp)
5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide
TL;DR: 5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide (CAS 438030-05-8) is a chemical compound with molecular formula C21H18ClF2N3O3S2 and molecular weight 497.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]urea
Also Known As: 5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide, 1-(4-chlorophenyl)-3-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]urea, 3-(4-chlorophenyl)-1-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methyl-phenyl]urea, 5-{[(4-Chlorophenyl)carbamoyl]amino}-N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-methylbenzene-1-sulfonamide
| Molecular Formula | C21H18ClF2N3O3S2 |
|---|---|
| Molecular Weight | 497.04 g/mol |
| LogP | 6.40792 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.04462 |
| Heavy Atoms | 32 |
| Complexity | 1205.9645 |
Chemical Identifiers
| CAS Number | 438030-05-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)Cl)S(=O)(=O)NC3=CC=C(C=C3)SC(F)F |
Product Overview
5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide (CAS 438030-05-8), with molecular formula C21H18ClF2N3O3S2 and molecular weight 497.04 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]urea.
Chemical Property Profile of 5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide
Property Insights of 5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide
The XLogP value of 6.40792 indicates that 5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide. Following Lipinski's Rule of Five, 5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide?
The CAS number of 5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide is 438030-05-8.
What is the molecular formula of 5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide?
The molecular formula of 5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide is C21H18ClF2N3O3S2.
What is the molecular weight of 5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide?
The molecular weight of 5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide is 497.04 g/mol.
Where can I buy 5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide?
You can request a quote for 5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 5-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N-[4-[(difluoromethyl)thio]phenyl]-2-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.