2,1,3-Benzothiadiazole-4-sulfonyl fluoride
TL;DR: 2,1,3-Benzothiadiazole-4-sulfonyl fluoride (CAS 501094-49-1) is a chemical compound with molecular formula C6H3FN2O2S2 and molecular weight 217.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,1,3-benzothiadiazole-4-sulfonyl fluoride
Also Known As: 2,1,3-benzothiadiazole-4-sulfonyl fluoride, 2lambda4,1,3-benzothiadiazole-4-sulfonyl fluoride
| Molecular Formula | C6H3FN2O2S2 |
|---|---|
| Molecular Weight | 217.96 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.96199 |
| Heavy Atoms | 13 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 501094-49-1 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1)S(=O)(=O)F |
| InChIKey | CUTKFIGCDQSHGX-UHFFFAOYSA-N |
Product Overview
2,1,3-Benzothiadiazole-4-sulfonyl fluoride (CAS 501094-49-1), with molecular formula C6H3FN2O2S2 and molecular weight 217.96 g/mol. IUPAC: 2,1,3-benzothiadiazole-4-sulfonyl fluoride.
Chemical Property Profile of 2,1,3-Benzothiadiazole-4-sulfonyl fluoride
Property Insights of 2,1,3-Benzothiadiazole-4-sulfonyl fluoride
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzothiadiazole-4-sulfonyl fluoride. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,1,3-Benzothiadiazole-4-sulfonyl fluoride. Following Lipinski's Rule of Five, 2,1,3-Benzothiadiazole-4-sulfonyl fluoride has 0 hydrogen bond donor(s) and 6 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 2,1,3-Benzothiadiazole-4-sulfonyl fluoride?
The CAS number of 2,1,3-Benzothiadiazole-4-sulfonyl fluoride is 501094-49-1.
What is the molecular formula of 2,1,3-Benzothiadiazole-4-sulfonyl fluoride?
The molecular formula of 2,1,3-Benzothiadiazole-4-sulfonyl fluoride is C6H3FN2O2S2.
What is the molecular weight of 2,1,3-Benzothiadiazole-4-sulfonyl fluoride?
The molecular weight of 2,1,3-Benzothiadiazole-4-sulfonyl fluoride is 217.96 g/mol.
Where can I buy 2,1,3-Benzothiadiazole-4-sulfonyl fluoride?
You can request a quote for 2,1,3-Benzothiadiazole-4-sulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1,3-Benzothiadiazole-4-sulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzothiadiazole-4-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.