4-(3-mercapto-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide
TL;DR: 4-(3-mercapto-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide (CAS 893772-30-0) is a chemical compound with molecular formula C13H11N5O2S2 and molecular weight 333.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonamide
Also Known As: A4089/0174325, 4-(3-mercapto-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide, 4-[3-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzenesulfonamide, 4-(3-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonamide, 4-[3-(3-PYRIDYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL]-1-BENZENESULFONAMIDE
| Molecular Formula | C13H11N5O2S2 |
|---|---|
| Molecular Weight | 333.04 g/mol |
| LogP | 1.63929 |
| Topological Polar Surface Area | 106.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.03543 |
| Heavy Atoms | 22 |
| Complexity | 959.67 |
Chemical Identifiers
| CAS Number | 893772-30-0 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NNC(=S)N2C3=CC=C(C=C3)S(=O)(=O)N |
Product Overview
4-(3-mercapto-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide (CAS 893772-30-0), with molecular formula C13H11N5O2S2 and molecular weight 333.04 g/mol. IUPAC: 4-(3-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonamide.
Chemical Property Profile of 4-(3-mercapto-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide
Property Insights of 4-(3-mercapto-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide
The XLogP value of 1.63929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-mercapto-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide. The TPSA of 106.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-mercapto-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-(3-mercapto-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide has 2 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 4-(3-mercapto-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide?
The CAS number of 4-(3-mercapto-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide is 893772-30-0.
What is the molecular formula of 4-(3-mercapto-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide?
The molecular formula of 4-(3-mercapto-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide is C13H11N5O2S2.
What is the molecular weight of 4-(3-mercapto-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide?
The molecular weight of 4-(3-mercapto-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide is 333.04 g/mol.
Where can I buy 4-(3-mercapto-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide?
You can request a quote for 4-(3-mercapto-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-mercapto-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-mercapto-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.