![N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide structure](/static/products/3389/338954-11-3.webp)
N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide
TL;DR: N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide (CAS 338954-11-3) is a chemical compound with molecular formula C19H21FN4O2S2 and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenylethyl]-4-fluorobenzenesulfonamide
Also Known As: N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide, N-[1-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenylethyl]-4-fluorobenzenesulfonamide, N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzene-1-sulfonamide, N-{1-[4-ethyl-5-(methylsulfanyl)-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide
| Molecular Formula | C19H21FN4O2S2 |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 3.4213 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 420.109 |
| Heavy Atoms | 28 |
| Complexity | 1021.847 |
Chemical Identifiers
| CAS Number | 338954-11-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SC)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F |
Product Overview
N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide (CAS 338954-11-3), with molecular formula C19H21FN4O2S2 and molecular weight 420.11 g/mol. IUPAC: N-[1-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenylethyl]-4-fluorobenzenesulfonamide.
Chemical Property Profile of N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide
Property Insights of N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide
The XLogP value of 3.4213 indicates that N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide. Following Lipinski's Rule of Five, N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide?
The CAS number of N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide is 338954-11-3.
What is the molecular formula of N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide?
The molecular formula of N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide is C19H21FN4O2S2.
What is the molecular weight of N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide?
The molecular weight of N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide is 420.11 g/mol.
Where can I buy N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide?
You can request a quote for N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-{1-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.