![4-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide structure](/static/products/5240/524036-98-4.webp)
4-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide
TL;DR: 4-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide (CAS 524036-98-4) is a chemical compound with molecular formula C11H13N5O4S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
Also Known As: BAS 06976250, 4-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide, AN-465/41401149, 4-methyl-N-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide, A2845/0120064
| Molecular Formula | C11H13N5O4S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.06882 |
| Heavy Atoms | 21 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 524036-98-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCN2C=NC(=N2)[N+](=O)[O-] |
| InChIKey | QWTPQAZRLVPBBG-UHFFFAOYSA-N |
Product Overview
4-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide (CAS 524036-98-4), with molecular formula C11H13N5O4S and molecular weight 311.07 g/mol. IUPAC: 4-methyl-N-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide.
Chemical Property Profile of 4-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide
Property Insights of 4-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide. Following Lipinski's Rule of Five, 4-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide has 1 hydrogen bond donor(s) and 7 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-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide?
The CAS number of 4-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide is 524036-98-4.
What is the molecular formula of 4-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide?
The molecular formula of 4-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide is C11H13N5O4S.
What is the molecular weight of 4-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide?
The molecular weight of 4-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide is 311.07 g/mol.
Where can I buy 4-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide?
You can request a quote for 4-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-N-[2-(3-nitro-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.