![2-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile structure](/static/products/6238/62381-79-7.webp)
2-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile
TL;DR: 2-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile (CAS 62381-79-7) is a chemical compound with molecular formula C13H10N2O3S and molecular weight 274.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile
Also Known As: 2-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile, 2-(1-Oxy-pyridine-2-sulfonylmethyl)-benzonitrile, Benzonitrile, 2-[[(1-oxido-2-pyridinyl)sulfonyl]methyl]-, 2-[(1-Oxo-1lambda~5~-pyridine-2-sulfonyl)methyl]benzonitrile
| Molecular Formula | C13H10N2O3S |
|---|---|
| Molecular Weight | 274.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.0412 |
| Heavy Atoms | 19 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 62381-79-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CS(=O)(=O)C2=CC=CC=[N+]2[O-])C#N |
| InChIKey | RNMPZXUOLKFXBT-UHFFFAOYSA-N |
Product Overview
2-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile (CAS 62381-79-7), with molecular formula C13H10N2O3S and molecular weight 274.04 g/mol. IUPAC: 2-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile.
Chemical Property Profile of 2-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile
Property Insights of 2-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile. Following Lipinski's Rule of Five, 2-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile has 0 hydrogen bond donor(s) and 4 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-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile?
The CAS number of 2-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile is 62381-79-7.
What is the molecular formula of 2-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile?
The molecular formula of 2-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile is C13H10N2O3S.
What is the molecular weight of 2-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile?
The molecular weight of 2-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile is 274.04 g/mol.
Where can I buy 2-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile?
You can request a quote for 2-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.