2-(Morpholine-4-sulfonyl)benzonitrile
TL;DR: 2-(Morpholine-4-sulfonyl)benzonitrile (CAS 612045-76-8) is a chemical compound with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-morpholin-4-ylsulfonylbenzonitrile
Also Known As: 2-(morpholin-4-ylsulfonyl)benzonitrile, 2-(morpholine-4-sulfonyl)benzonitrile, 2-(Morpholinosulfonyl)benzonitrile, 2-morpholin-4-ylsulfonylbenzonitrile, 2-morpholinosulfonylbenzonitrile
| Molecular Formula | C11H12N2O3S |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.05687 |
| Heavy Atoms | 17 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 612045-76-8 |
|---|---|
| SMILES | C1COCCN1S(=O)(=O)C2=CC=CC=C2C#N |
| InChIKey | MOCWSYCHYDMWDR-UHFFFAOYSA-N |
Product Overview
2-(Morpholine-4-sulfonyl)benzonitrile (CAS 612045-76-8), with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol. IUPAC: 2-morpholin-4-ylsulfonylbenzonitrile.
Chemical Property Profile of 2-(Morpholine-4-sulfonyl)benzonitrile
Property Insights of 2-(Morpholine-4-sulfonyl)benzonitrile
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Morpholine-4-sulfonyl)benzonitrile. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Morpholine-4-sulfonyl)benzonitrile. Following Lipinski's Rule of Five, 2-(Morpholine-4-sulfonyl)benzonitrile has 0 hydrogen bond donor(s) and 5 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-(Morpholine-4-sulfonyl)benzonitrile?
The CAS number of 2-(Morpholine-4-sulfonyl)benzonitrile is 612045-76-8.
What is the molecular formula of 2-(Morpholine-4-sulfonyl)benzonitrile?
The molecular formula of 2-(Morpholine-4-sulfonyl)benzonitrile is C11H12N2O3S.
What is the molecular weight of 2-(Morpholine-4-sulfonyl)benzonitrile?
The molecular weight of 2-(Morpholine-4-sulfonyl)benzonitrile is 252.06 g/mol.
Where can I buy 2-(Morpholine-4-sulfonyl)benzonitrile?
You can request a quote for 2-(Morpholine-4-sulfonyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Morpholine-4-sulfonyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Morpholine-4-sulfonyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.