2-硝基苯磺酰氯
TL;DR: 2-硝基苯磺酰氯 (CAS 1694-92-4) 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.
2-硝基苯磺酰氯
2-nitrobenzenesulfonyl chloride
Also Known As: 2-Nitrobenzenesulfonyl chloride, o-Nitrophenylsulfonyl chloride, 2-nitrobenzene-1-sulfonyl chloride, null, o-Nitrobenzenesulfonyl chloride
| Molecular Formula | C6H4ClNO4S |
|---|---|
| Molecular Weight | 220.95 g/mol |
| LogP | 1.8 |
| 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 | 291.0 |
Chemical Identifiers
| CAS Number | 1694-92-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)Cl |
| InChIKey | WPHUUIODWRNJLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-硝基苯磺酰氯 (CAS 1694-92-4), with molecular formula C6H4ClNO4S and molecular weight 220.95 g/mol. IUPAC: 2-nitrobenzenesulfonyl chloride.
Chemical Property Profile of 2-硝基苯磺酰氯
Property Insights of 2-硝基苯磺酰氯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-硝基苯磺酰氯. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-硝基苯磺酰氯. Following Lipinski's Rule of Five, 2-硝基苯磺酰氯 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-硝基苯磺酰氯?
The CAS number of 2-硝基苯磺酰氯 is 1694-92-4.
What is the molecular formula of 2-硝基苯磺酰氯?
The molecular formula of 2-硝基苯磺酰氯 is C6H4ClNO4S.
What is the molecular weight of 2-硝基苯磺酰氯?
The molecular weight of 2-硝基苯磺酰氯 is 220.95 g/mol.
Where can I buy 2-硝基苯磺酰氯?
You can request a quote for 2-硝基苯磺酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-硝基苯磺酰氯?
Yes, KEHONG BIO provides custom synthesis services for 2-硝基苯磺酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.