4-Nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide
TL;DR: 4-Nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide (CAS 331434-22-1) is a chemical compound with molecular formula C8H7N5O4S and molecular weight 269.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
Also Known As: BAS 00406726, 4-Nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide, 4-nitro-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide, [(4-nitrophenyl)sulfonyl]-1,2,4-triazol-4-ylamine, 4-nitro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
| Molecular Formula | C8H7N5O4S |
|---|---|
| Molecular Weight | 269.02 g/mol |
| LogP | 0.1187 |
| Topological Polar Surface Area | 120.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.02188 |
| Heavy Atoms | 18 |
| Complexity | 649.3056 |
Chemical Identifiers
| CAS Number | 331434-22-1 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NN2C=NN=C2 |
Product Overview
4-Nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide (CAS 331434-22-1), with molecular formula C8H7N5O4S and molecular weight 269.02 g/mol. IUPAC: 4-nitro-N-(1,2,4-triazol-4-yl)benzenesulfonamide.
Chemical Property Profile of 4-Nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide
Property Insights of 4-Nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide
The XLogP value of 0.1187 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide. The TPSA of 120.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide. Following Lipinski's Rule of Five, 4-Nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide has 1 hydrogen bond donor(s) and 6 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-Nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide?
The CAS number of 4-Nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide is 331434-22-1.
What is the molecular formula of 4-Nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide?
The molecular formula of 4-Nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide is C8H7N5O4S.
What is the molecular weight of 4-Nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide?
The molecular weight of 4-Nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide is 269.02 g/mol.
Where can I buy 4-Nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide?
You can request a quote for 4-Nitro-N-(4H-1,2,4-triazol-4-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 4-Nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.