1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide
TL;DR: 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide (CAS 331847-77-9) is a chemical compound with molecular formula C9H10N4O2S and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide
Also Known As: ChemDiv3_000940, [benzylsulfonyl]-1,2,4-triazol-4-ylamine, IDI1_019906, BAS 01659733, 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide
| Molecular Formula | C9H10N4O2S |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.05244 |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 331847-77-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)NN2C=NN=C2 |
| InChIKey | GEUGHNMRMYUANA-UHFFFAOYSA-N |
Product Overview
1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide (CAS 331847-77-9), with molecular formula C9H10N4O2S and molecular weight 238.05 g/mol. IUPAC: 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide.
Chemical Property Profile of 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide
Property Insights of 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide. Following Lipinski's Rule of Five, 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide 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 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide?
The CAS number of 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide is 331847-77-9.
What is the molecular formula of 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide?
The molecular formula of 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide is C9H10N4O2S.
What is the molecular weight of 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide?
The molecular weight of 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide is 238.05 g/mol.
Where can I buy 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide?
You can request a quote for 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.