4-Chlorobenzenesulfonyl isocyanate
TL;DR: 4-Chlorobenzenesulfonyl isocyanate (CAS 5769-15-3) is a chemical compound with molecular formula C7H4ClNO3S and molecular weight 216.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(oxomethylidene)benzenesulfonamide
Also Known As: 4-Chlorobenzenesulfonyl isocyanate, p-Chlorobenzenesulfonyl isocyanate, 4-chlorobenzensulfonyl isocyanate, 3,4-Dimethoxybenzylamine, 4-Chlorobenzenesulfonylisocyanate
| Molecular Formula | C7H4ClNO3S |
|---|---|
| Molecular Weight | 216.96 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.96004 |
| Heavy Atoms | 13 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 5769-15-3 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)N=C=O)Cl |
| InChIKey | JGHDVROWMPBQSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorobenzenesulfonyl isocyanate (CAS 5769-15-3), with molecular formula C7H4ClNO3S and molecular weight 216.96 g/mol. IUPAC: 4-chloro-N-(oxomethylidene)benzenesulfonamide.
Chemical Property Profile of 4-Chlorobenzenesulfonyl isocyanate
Property Insights of 4-Chlorobenzenesulfonyl isocyanate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobenzenesulfonyl isocyanate. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorobenzenesulfonyl isocyanate. Following Lipinski's Rule of Five, 4-Chlorobenzenesulfonyl isocyanate 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 4-Chlorobenzenesulfonyl isocyanate?
The CAS number of 4-Chlorobenzenesulfonyl isocyanate is 5769-15-3.
What is the molecular formula of 4-Chlorobenzenesulfonyl isocyanate?
The molecular formula of 4-Chlorobenzenesulfonyl isocyanate is C7H4ClNO3S.
What is the molecular weight of 4-Chlorobenzenesulfonyl isocyanate?
The molecular weight of 4-Chlorobenzenesulfonyl isocyanate is 216.96 g/mol.
Where can I buy 4-Chlorobenzenesulfonyl isocyanate?
You can request a quote for 4-Chlorobenzenesulfonyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzenesulfonyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzenesulfonyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.