2',6'-Dinitro-4'-(trifluoromethyl)methanesulfonanilide
TL;DR: 2',6'-Dinitro-4'-(trifluoromethyl)methanesulfonanilide (CAS 57840-80-9) is a chemical compound with molecular formula C8H6F3N3O6S and molecular weight 328.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,6-dinitro-4-(trifluoromethyl)phenyl]methanesulfonamide
Also Known As: Methanesulfonamide, N-(2,6-dinitro-4-trifluoromethylphenyl)-, 2',6'-DINITRO-4'-(TRIFLUOROMETHYL)METHANESULFONANILIDE, N-[2,6-dinitro-4-(trifluoromethyl)phenyl]methanesulfonamide, 661-953-1, RefChem:439507
| Molecular Formula | C8H6F3N3O6S |
|---|---|
| Molecular Weight | 328.99 g/mol |
| LogP | 1.8933 |
| Topological Polar Surface Area | 132.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.99295 |
| Heavy Atoms | 21 |
| Complexity | 679.453 |
Chemical Identifiers
| CAS Number | 57840-80-9 |
|---|---|
| SMILES | CS(=O)(=O)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
2',6'-Dinitro-4'-(trifluoromethyl)methanesulfonanilide (CAS 57840-80-9), with molecular formula C8H6F3N3O6S and molecular weight 328.99 g/mol. IUPAC: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]methanesulfonamide.
Chemical Property Profile of 2',6'-Dinitro-4'-(trifluoromethyl)methanesulfonanilide
Property Insights of 2',6'-Dinitro-4'-(trifluoromethyl)methanesulfonanilide
The XLogP value of 1.8933 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2',6'-Dinitro-4'-(trifluoromethyl)methanesulfonanilide. The TPSA of 132.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2',6'-Dinitro-4'-(trifluoromethyl)methanesulfonanilide. Following Lipinski's Rule of Five, 2',6'-Dinitro-4'-(trifluoromethyl)methanesulfonanilide 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 2',6'-Dinitro-4'-(trifluoromethyl)methanesulfonanilide?
The CAS number of 2',6'-Dinitro-4'-(trifluoromethyl)methanesulfonanilide is 57840-80-9.
What is the molecular formula of 2',6'-Dinitro-4'-(trifluoromethyl)methanesulfonanilide?
The molecular formula of 2',6'-Dinitro-4'-(trifluoromethyl)methanesulfonanilide is C8H6F3N3O6S.
What is the molecular weight of 2',6'-Dinitro-4'-(trifluoromethyl)methanesulfonanilide?
The molecular weight of 2',6'-Dinitro-4'-(trifluoromethyl)methanesulfonanilide is 328.99 g/mol.
Where can I buy 2',6'-Dinitro-4'-(trifluoromethyl)methanesulfonanilide?
You can request a quote for 2',6'-Dinitro-4'-(trifluoromethyl)methanesulfonanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',6'-Dinitro-4'-(trifluoromethyl)methanesulfonanilide?
Yes, KEHONG BIO provides custom synthesis services for 2',6'-Dinitro-4'-(trifluoromethyl)methanesulfonanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.