2-Chloro-5-nitrobenzenesulfonyl chloride
TL;DR: 2-Chloro-5-nitrobenzenesulfonyl chloride (CAS 4533-95-3) 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.
2-chloro-5-nitrobenzenesulfonyl chloride
Also Known As: 2-Chloro-5-nitrobenzenesulfonyl chloride, 2-Chloro-5-nitrobenzene-1-sulfonyl chloride, Benzenesulfonyl chloride, 2-chloro-5-nitro-, 2-Chloro-5-nitro-benzenesulfonyl chloride, Dimethyl Carbodithiocyanamate
| Molecular Formula | C6H3Cl2NO4S |
|---|---|
| Molecular Weight | 254.92 g/mol |
| LogP | 2.4 |
| 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 | 4533-95-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)Cl)Cl |
| InChIKey | COZWQPZDKVIVFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-5-nitrobenzenesulfonyl chloride (CAS 4533-95-3), with molecular formula C6H3Cl2NO4S and molecular weight 254.92 g/mol. IUPAC: 2-chloro-5-nitrobenzenesulfonyl chloride.
Chemical Property Profile of 2-Chloro-5-nitrobenzenesulfonyl chloride
Property Insights of 2-Chloro-5-nitrobenzenesulfonyl chloride
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-nitrobenzenesulfonyl chloride. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-nitrobenzenesulfonyl chloride. Following Lipinski's Rule of Five, 2-Chloro-5-nitrobenzenesulfonyl 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 2-Chloro-5-nitrobenzenesulfonyl chloride?
The CAS number of 2-Chloro-5-nitrobenzenesulfonyl chloride is 4533-95-3.
What is the molecular formula of 2-Chloro-5-nitrobenzenesulfonyl chloride?
The molecular formula of 2-Chloro-5-nitrobenzenesulfonyl chloride is C6H3Cl2NO4S.
What is the molecular weight of 2-Chloro-5-nitrobenzenesulfonyl chloride?
The molecular weight of 2-Chloro-5-nitrobenzenesulfonyl chloride is 254.92 g/mol.
Where can I buy 2-Chloro-5-nitrobenzenesulfonyl chloride?
You can request a quote for 2-Chloro-5-nitrobenzenesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-nitrobenzenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-nitrobenzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.