4-Chloro-2-nitrophenylsulfonyl chloride
TL;DR: 4-Chloro-2-nitrophenylsulfonyl chloride (CAS 4533-96-4) is a chemical compound with molecular formula C6H3Cl2NO4S and molecular weight 254.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-nitrobenzenesulfonyl chloride
Also Known As: 4-Chloro-2-nitrobenzenesulfonyl chloride, 4-chloro-2-nitrobenzene-1-sulfonyl chloride, Benzenesulfonyl chloride, 4-chloro-2-nitro-, 2-Nitro-4-chlorobenzenesulfonyl chloride, 4-Chloro-2-nitrophenylsulphonyl chloride
| Molecular Formula | C6H3Cl2NO4S |
|---|---|
| Molecular Weight | 254.92 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.91599 |
| Heavy Atoms | 14 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 4533-96-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])S(=O)(=O)Cl |
| InChIKey | LYESTQKHIPXVIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-nitrophenylsulfonyl chloride (CAS 4533-96-4), with molecular formula C6H3Cl2NO4S and molecular weight 254.92 g/mol. IUPAC: 4-chloro-2-nitrobenzenesulfonyl chloride.
Chemical Property Profile of 4-Chloro-2-nitrophenylsulfonyl chloride
Property Insights of 4-Chloro-2-nitrophenylsulfonyl chloride
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-nitrophenylsulfonyl chloride. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-nitrophenylsulfonyl chloride. Following Lipinski's Rule of Five, 4-Chloro-2-nitrophenylsulfonyl chloride 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-Chloro-2-nitrophenylsulfonyl chloride?
The CAS number of 4-Chloro-2-nitrophenylsulfonyl chloride is 4533-96-4.
What is the molecular formula of 4-Chloro-2-nitrophenylsulfonyl chloride?
The molecular formula of 4-Chloro-2-nitrophenylsulfonyl chloride is C6H3Cl2NO4S.
What is the molecular weight of 4-Chloro-2-nitrophenylsulfonyl chloride?
The molecular weight of 4-Chloro-2-nitrophenylsulfonyl chloride is 254.92 g/mol.
Where can I buy 4-Chloro-2-nitrophenylsulfonyl chloride?
You can request a quote for 4-Chloro-2-nitrophenylsulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-nitrophenylsulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-nitrophenylsulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.