4-Cyanobenzenesulfonyl chloride
TL;DR: 4-Cyanobenzenesulfonyl chloride (CAS 49584-26-1) is a chemical compound with molecular formula C7H4ClNO2S and molecular weight 200.96513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-cyanobenzenesulfonyl chloride
Also Known As: 4-Cyanobenzenesulfonyl chloride, 4-cyanobenzene-1-sulfonyl chloride, 4-cyanobenzenesulfonylchloride, C-Nitrile, S-chloride, 4-Cyano benzenesulfonyl Chloride
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4ClNO2S |
| Molecular Weight | 200.96513 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.96513 Da |
| Heavy Atoms | 12 |
| Complexity | 289.0 |
| SMILES | C1=CC(=CC=C1C#N)S(=O)(=O)Cl |
| InChIKey | DBMFYTQPPBBKHI-UHFFFAOYSA-N |
Chemical Property Profile of 4-Cyanobenzenesulfonyl chloride
Property Insights of 4-Cyanobenzenesulfonyl chloride
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyanobenzenesulfonyl chloride. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyanobenzenesulfonyl chloride. Following Lipinski's Rule of Five, 4-Cyanobenzenesulfonyl chloride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Cyanobenzenesulfonyl chloride?
The CAS number of 4-Cyanobenzenesulfonyl chloride is 49584-26-1.
What is the molecular formula of 4-Cyanobenzenesulfonyl chloride?
The molecular formula of 4-Cyanobenzenesulfonyl chloride is C7H4ClNO2S.
What is the molecular weight of 4-Cyanobenzenesulfonyl chloride?
The molecular weight of 4-Cyanobenzenesulfonyl chloride is 200.96513 g/mol.
Where can I buy 4-Cyanobenzenesulfonyl chloride?
You can request a quote for 4-Cyanobenzenesulfonyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Cyanobenzenesulfonyl chloride?
Yes, CoreyChem provides custom synthesis services for 4-Cyanobenzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.