3-Nitrobenzenesulfonyl chloride
TL;DR: 3-Nitrobenzenesulfonyl chloride (CAS 121-51-7) is a chemical compound with molecular formula C6H4ClNO4S and molecular weight 220.95496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitrobenzenesulfonyl chloride
Also Known As: 3-Nitrobenzenesulfonyl chloride, 3-nitrobenzene-1-sulfonyl chloride, null, 3-Nitrophenylsulfonyl chloride, Benzenesulfonyl chloride, 3-nitro-
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4ClNO4S |
| Molecular Weight | 220.95496 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.95496 Da |
| Heavy Atoms | 13 |
| Complexity | 291.0 |
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)Cl)[N+](=O)[O-] |
| InChIKey | MWWNNNAOGWPTQY-UHFFFAOYSA-N |
Product Description
Applications: 3-Nitrobenzenesulfonyl chloride is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Nitrobenzenesulfonyl chloride (CAS 121-51-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-Nitrobenzenesulfonyl chloride (CAS 121-51-7) is a heterocyclic building block with the molecular formula C6H4ClNO4S and a molecular weight of 220.95 g/mol. It is also known as 3-Nitrobenzenesulfonyl chloride and 3-nitrobenzene-1-sulfonyl chloride.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Nitrobenzenesulfonyl chloride
Property Insights of 3-Nitrobenzenesulfonyl chloride
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrobenzenesulfonyl chloride. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrobenzenesulfonyl chloride. Following Lipinski's Rule of Five, 3-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
What is the CAS number of 3-Nitrobenzenesulfonyl chloride?
The CAS number of 3-Nitrobenzenesulfonyl chloride is 121-51-7.
What is the molecular formula of 3-Nitrobenzenesulfonyl chloride?
The molecular formula of 3-Nitrobenzenesulfonyl chloride is C6H4ClNO4S.
What is the molecular weight of 3-Nitrobenzenesulfonyl chloride?
The molecular weight of 3-Nitrobenzenesulfonyl chloride is 220.95496 g/mol.
What are the applications of 3-Nitrobenzenesulfonyl chloride?
3-Nitrobenzenesulfonyl chloride is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Nitrobenzenesulfonyl...
Where can I buy 3-Nitrobenzenesulfonyl chloride?
You can request a quote for 3-Nitrobenzenesulfonyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitrobenzenesulfonyl chloride?
Yes, CoreyChem provides custom synthesis services for 3-Nitrobenzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.