![N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide structure](/static/products/7214/721408-72-6.webp)
N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide
TL;DR: N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide (CAS 721408-72-6) is a chemical compound with molecular formula C21H14ClF3N4O2S2 and molecular weight 510.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-3-[5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]benzenesulfonamide
Also Known As: N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide, N-(4-Chloro-phenyl)-3-[5-mercapto-4-(3-trifluoromethyl-phenyl)-4H-[1,2,4]triazol-3-yl]-benzenesulfonamide, N-(4-chlorophenyl)-3-[5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]benzenesulfonamide
| Molecular Formula | C21H14ClF3N4O2S2 |
|---|---|
| Molecular Weight | 510.02 g/mol |
| LogP | 6.06989 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 510.01987 |
| Heavy Atoms | 33 |
| Complexity | 1480.3833 |
Chemical Identifiers
| CAS Number | 721408-72-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl)C3=NNC(=S)N3C4=CC=CC(=C4)C(F)(F)F |
Product Overview
N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide (CAS 721408-72-6), with molecular formula C21H14ClF3N4O2S2 and molecular weight 510.02 g/mol. IUPAC: N-(4-chlorophenyl)-3-[5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]benzenesulfonamide.
Chemical Property Profile of N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide
Property Insights of N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide
The XLogP value of 6.06989 indicates that N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide has 2 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 N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide?
The CAS number of N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide is 721408-72-6.
What is the molecular formula of N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide?
The molecular formula of N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide is C21H14ClF3N4O2S2.
What is the molecular weight of N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide?
The molecular weight of N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide is 510.02 g/mol.
Where can I buy N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide?
You can request a quote for N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-3-{5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}benzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.