N-{2-nitro-4-methylphenyl}-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide
TL;DR: N-{2-nitro-4-methylphenyl}-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide (CAS 331957-80-3) is a chemical compound with molecular formula C14H12N4O4S2 and molecular weight 364.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-N-(4-methyl-2-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
Also Known As: BAS 00673322, N-{2-nitro-4-methylphenyl}-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide, 5-methyl-N-(4-methyl-2-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide, [(5-methylbenzo[c]1,2,5-thiadiazol-4-yl)sulfonyl](4-methyl-2-nitrophenyl)amine, 5-Methyl-benzo[1,2,5]thiadiazole-4-sulfonic acid (4-methyl-2-nitro-phenyl)-amide
| Molecular Formula | C14H12N4O4S2 |
|---|---|
| Molecular Weight | 364.03 g/mol |
| LogP | 3.01714 |
| Topological Polar Surface Area | 115.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.03 |
| Heavy Atoms | 24 |
| Complexity | 1059.8218 |
Chemical Identifiers
| CAS Number | 331957-80-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC3=NSN=C32)C)[N+](=O)[O-] |
Product Overview
N-{2-nitro-4-methylphenyl}-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide (CAS 331957-80-3), with molecular formula C14H12N4O4S2 and molecular weight 364.03 g/mol. IUPAC: 5-methyl-N-(4-methyl-2-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide.
Chemical Property Profile of N-{2-nitro-4-methylphenyl}-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide
Property Insights of N-{2-nitro-4-methylphenyl}-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide
The XLogP value of 3.01714 indicates that N-{2-nitro-4-methylphenyl}-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.09 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{2-nitro-4-methylphenyl}-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide. Following Lipinski's Rule of Five, N-{2-nitro-4-methylphenyl}-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide 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 N-{2-nitro-4-methylphenyl}-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
The CAS number of N-{2-nitro-4-methylphenyl}-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide is 331957-80-3.
What is the molecular formula of N-{2-nitro-4-methylphenyl}-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
The molecular formula of N-{2-nitro-4-methylphenyl}-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide is C14H12N4O4S2.
What is the molecular weight of N-{2-nitro-4-methylphenyl}-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
The molecular weight of N-{2-nitro-4-methylphenyl}-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide is 364.03 g/mol.
Where can I buy N-{2-nitro-4-methylphenyl}-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
You can request a quote for N-{2-nitro-4-methylphenyl}-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{2-nitro-4-methylphenyl}-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2-nitro-4-methylphenyl}-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.