N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
TL;DR: N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (CAS 690961-59-2) is a chemical compound with molecular formula C13H11F3N2O2S and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
Also Known As: N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide, F3394-1355, AO-854/41792090, N-(2-pyridinylmethyl)-3-(trifluoromethyl)benzenesulfonamide, N-[(pyridin-2-yl)methyl]-3-(trifluoromethyl)benzene-1-sulfonamide
| Molecular Formula | C13H11F3N2O2S |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 2.5789 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.04935 |
| Heavy Atoms | 21 |
| Complexity | 715.6963 |
Chemical Identifiers
| CAS Number | 690961-59-2 |
|---|---|
| SMILES | C1=CC=NC(=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F |
Product Overview
N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (CAS 690961-59-2), with molecular formula C13H11F3N2O2S and molecular weight 316.05 g/mol. IUPAC: N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide.
Chemical Property Profile of N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
Property Insights of N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
The XLogP value of 2.5789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide. With a topological polar surface area (TPSA) of 59.06 Ų, N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide has 1 hydrogen bond donor(s) and 3 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-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The CAS number of N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is 690961-59-2.
What is the molecular formula of N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The molecular formula of N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is C13H11F3N2O2S.
What is the molecular weight of N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The molecular weight of N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is 316.05 g/mol.
Where can I buy N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
You can request a quote for N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.