4-Nitrobenzenesulfonyl chloride
TL;DR: 4-Nitrobenzenesulfonyl chloride (CAS 98-74-8) is a chemical compound with molecular formula C6H4ClNO4S and molecular weight 220.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitrobenzenesulfonyl chloride
Also Known As: 4-Nitrobenzenesulfonyl chloride, nosylchloride, null, 4-nitrobenzene-1-sulfonyl chloride, Nosyl chloride
| Molecular Formula | C6H4ClNO4S |
|---|---|
| Molecular Weight | 220.95 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.95496 |
| Heavy Atoms | 13 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 98-74-8 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)Cl |
| InChIKey | JXRGUPLJCCDGKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrobenzenesulfonyl chloride (CAS 98-74-8), with molecular formula C6H4ClNO4S and molecular weight 220.95 g/mol. IUPAC: 4-nitrobenzenesulfonyl chloride.
Chemical Property Profile of 4-Nitrobenzenesulfonyl chloride
Property Insights of 4-Nitrobenzenesulfonyl chloride
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzenesulfonyl chloride. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzenesulfonyl chloride. Following Lipinski's Rule of Five, 4-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 4-Nitrobenzenesulfonyl chloride?
The CAS number of 4-Nitrobenzenesulfonyl chloride is 98-74-8.
What is the molecular formula of 4-Nitrobenzenesulfonyl chloride?
The molecular formula of 4-Nitrobenzenesulfonyl chloride is C6H4ClNO4S.
What is the molecular weight of 4-Nitrobenzenesulfonyl chloride?
The molecular weight of 4-Nitrobenzenesulfonyl chloride is 220.95 g/mol.
Where can I buy 4-Nitrobenzenesulfonyl chloride?
You can request a quote for 4-Nitrobenzenesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.