![N-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide structure](/static/products/866/866136-47-2.png)
N-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide
TL;DR: N-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide (CAS 866136-47-2) is a chemical compound with molecular formula C12H13FN4O2S2 and molecular weight 328.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
Also Known As: N-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide, 4-fluoro-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide, 4-fluoro-N-{[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}benzene-1-sulfonamide, N-(4-Allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl-4-fluorobenzenesulfonamide, N-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-fluoro-benzenesulfonamide
| Molecular Formula | C12H13FN4O2S2 |
|---|---|
| Molecular Weight | 328.05 g/mol |
| LogP | 1.74429 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.0464 |
| Heavy Atoms | 21 |
| Complexity | 793.4101 |
Chemical Identifiers
| CAS Number | 866136-47-2 |
|---|---|
| SMILES | C=CCN1C(=NNC1=S)CNS(=O)(=O)C2=CC=C(C=C2)F |
Product Overview
N-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide (CAS 866136-47-2), with molecular formula C12H13FN4O2S2 and molecular weight 328.05 g/mol. IUPAC: 4-fluoro-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide.
Chemical Property Profile of N-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide
Property Insights of N-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide
The XLogP value of 1.74429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide. The TPSA of 79.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide. Following Lipinski's Rule of Five, N-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide has 2 hydrogen bond donor(s) and 4 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-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide?
The CAS number of N-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide is 866136-47-2.
What is the molecular formula of N-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide?
The molecular formula of N-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide is C12H13FN4O2S2.
What is the molecular weight of N-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide?
The molecular weight of N-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide is 328.05 g/mol.
Where can I buy N-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide?
You can request a quote for N-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-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-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.