4-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide
TL;DR: 4-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide (CAS 83763-50-2) is a chemical compound with molecular formula C13H14N4O6S2 and molecular weight 386.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-aminoanilino)-N-methylsulfonyl-3-nitrobenzenesulfonamide
Also Known As: EINECS 280-736-9, 4-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide, 4-[ amino]-N- -3-nitrobenzenesulphonamide, 4-(4-aminoanilino)-N-methylsulfonyl-3-nitrobenzenesulfonamide, 4-[(4-AMINOPHENYL)AMINO]-N-(METHYLSULFONYL)-3-NITROBENZENESULFONAMIDE
| Molecular Formula | C13H14N4O6S2 |
|---|---|
| Molecular Weight | 386.04 g/mol |
| LogP | 1.1585 |
| Topological Polar Surface Area | 161.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.03546 |
| Heavy Atoms | 25 |
| Complexity | 1016.9848 |
Chemical Identifiers
| CAS Number | 83763-50-2 |
|---|---|
| SMILES | CS(=O)(=O)NS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=C(C=C2)N)[N+](=O)[O-] |
Product Overview
4-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide (CAS 83763-50-2), with molecular formula C13H14N4O6S2 and molecular weight 386.04 g/mol. IUPAC: 4-(4-aminoanilino)-N-methylsulfonyl-3-nitrobenzenesulfonamide.
Chemical Property Profile of 4-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide
Property Insights of 4-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide
The XLogP value of 1.1585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide. The TPSA of 161.5 Ų indicates high polarity, suggesting 4-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide has 3 hydrogen bond donor(s) and 8 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-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide?
The CAS number of 4-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide is 83763-50-2.
What is the molecular formula of 4-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide?
The molecular formula of 4-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide is C13H14N4O6S2.
What is the molecular weight of 4-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide?
The molecular weight of 4-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide is 386.04 g/mol.
Where can I buy 4-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide?
You can request a quote for 4-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.