N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
TL;DR: N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide (CAS 488109-86-0) is a chemical compound with molecular formula C13H10N4O4S2 and molecular weight 350.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
Also Known As: N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide, N-(4-methyl-3-nitrophenyl)benzo[c][1,2,5]thiadiazole-4-sulfonamide
| Molecular Formula | C13H10N4O4S2 |
|---|---|
| Molecular Weight | 350.01 g/mol |
| LogP | 2.70872 |
| Topological Polar Surface Area | 115.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.01434 |
| Heavy Atoms | 23 |
| Complexity | 1013.74133 |
Chemical Identifiers
| CAS Number | 488109-86-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32)[N+](=O)[O-] |
Product Overview
N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide (CAS 488109-86-0), with molecular formula C13H10N4O4S2 and molecular weight 350.01 g/mol. IUPAC: N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide.
Chemical Property Profile of N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
Property Insights of N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
The XLogP value of 2.70872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide. The TPSA of 115.09 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide. Following Lipinski's Rule of Five, N-(4-methyl-3-nitrophenyl)-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-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The CAS number of N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide is 488109-86-0.
What is the molecular formula of N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The molecular formula of N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide is C13H10N4O4S2.
What is the molecular weight of N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The molecular weight of N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide is 350.01 g/mol.
Where can I buy N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
You can request a quote for N-(4-methyl-3-nitrophenyl)-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-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.