3,5'-Dinitro-2'-methylbenzenesulfonanilide
TL;DR: 3,5'-Dinitro-2'-methylbenzenesulfonanilide (CAS 16939-25-6) is a chemical compound with molecular formula C13H11N3O6S and molecular weight 337.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methyl-5-nitrophenyl)-3-nitrobenzenesulfonamide
Also Known As: 3,5'-dinitro-2'-methylbenzenesulfonanilide, N-(2-methyl-5-nitrophenyl)-3-nitrobenzenesulfonamide, (2-methyl-5-nitrophenyl)[(3-nitrophenyl)sulfonyl]amine, N-(2-methyl-5-nitrophenyl)-3-nitrobenzene-1-sulfonamide, 667-822-5
| Molecular Formula | C13H11N3O6S |
|---|---|
| Molecular Weight | 337.04 g/mol |
| LogP | 2.61222 |
| Topological Polar Surface Area | 132.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.03687 |
| Heavy Atoms | 23 |
| Complexity | 894.3329 |
Chemical Identifiers
| CAS Number | 16939-25-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] |
Product Overview
3,5'-Dinitro-2'-methylbenzenesulfonanilide (CAS 16939-25-6), with molecular formula C13H11N3O6S and molecular weight 337.04 g/mol. IUPAC: N-(2-methyl-5-nitrophenyl)-3-nitrobenzenesulfonamide.
Chemical Property Profile of 3,5'-Dinitro-2'-methylbenzenesulfonanilide
Property Insights of 3,5'-Dinitro-2'-methylbenzenesulfonanilide
The XLogP value of 2.61222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5'-Dinitro-2'-methylbenzenesulfonanilide. The TPSA of 132.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5'-Dinitro-2'-methylbenzenesulfonanilide. Following Lipinski's Rule of Five, 3,5'-Dinitro-2'-methylbenzenesulfonanilide 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 3,5'-Dinitro-2'-methylbenzenesulfonanilide?
The CAS number of 3,5'-Dinitro-2'-methylbenzenesulfonanilide is 16939-25-6.
What is the molecular formula of 3,5'-Dinitro-2'-methylbenzenesulfonanilide?
The molecular formula of 3,5'-Dinitro-2'-methylbenzenesulfonanilide is C13H11N3O6S.
What is the molecular weight of 3,5'-Dinitro-2'-methylbenzenesulfonanilide?
The molecular weight of 3,5'-Dinitro-2'-methylbenzenesulfonanilide is 337.04 g/mol.
Where can I buy 3,5'-Dinitro-2'-methylbenzenesulfonanilide?
You can request a quote for 3,5'-Dinitro-2'-methylbenzenesulfonanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5'-Dinitro-2'-methylbenzenesulfonanilide?
Yes, KEHONG BIO provides custom synthesis services for 3,5'-Dinitro-2'-methylbenzenesulfonanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.