Benzenesulfonyl chloride, 4-methoxy-3-nitro-
TL;DR: Benzenesulfonyl chloride, 4-methoxy-3-nitro- (CAS 22117-79-9) is a chemical compound with molecular formula C7H6ClNO5S and molecular weight 250.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-nitrobenzenesulfonyl chloride
Also Known As: 4-methoxy-3-nitrobenzenesulfonyl chloride, 4-Methoxy-3-nitro-benzenesulfonyl chloride, 4-Methoxy-3-nitrobenzene-1-sulfonyl chloride, Benzenesulfonyl chloride, 4-methoxy-3-nitro-, 4-Methoxy-3-nitrobenzenesulphonyl chloride
| Molecular Formula | C7H6ClNO5S |
|---|---|
| Molecular Weight | 250.97 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.96552 |
| Heavy Atoms | 15 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 22117-79-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-] |
| InChIKey | PWYNJONRUFAOFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonyl chloride, 4-methoxy-3-nitro- (CAS 22117-79-9), with molecular formula C7H6ClNO5S and molecular weight 250.97 g/mol. IUPAC: 4-methoxy-3-nitrobenzenesulfonyl chloride.
Chemical Property Profile of Benzenesulfonyl chloride, 4-methoxy-3-nitro-
Property Insights of Benzenesulfonyl chloride, 4-methoxy-3-nitro-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonyl chloride, 4-methoxy-3-nitro-. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonyl chloride, 4-methoxy-3-nitro-. Following Lipinski's Rule of Five, Benzenesulfonyl chloride, 4-methoxy-3-nitro- has 0 hydrogen bond donor(s) and 5 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 Benzenesulfonyl chloride, 4-methoxy-3-nitro-?
The CAS number of Benzenesulfonyl chloride, 4-methoxy-3-nitro- is 22117-79-9.
What is the molecular formula of Benzenesulfonyl chloride, 4-methoxy-3-nitro-?
The molecular formula of Benzenesulfonyl chloride, 4-methoxy-3-nitro- is C7H6ClNO5S.
What is the molecular weight of Benzenesulfonyl chloride, 4-methoxy-3-nitro-?
The molecular weight of Benzenesulfonyl chloride, 4-methoxy-3-nitro- is 250.97 g/mol.
Where can I buy Benzenesulfonyl chloride, 4-methoxy-3-nitro-?
You can request a quote for Benzenesulfonyl chloride, 4-methoxy-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonyl chloride, 4-methoxy-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonyl chloride, 4-methoxy-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.