2,1,3-Benzoxadiazole-4-sulfonyl chloride
TL;DR: 2,1,3-Benzoxadiazole-4-sulfonyl chloride (CAS 114322-14-4) is a chemical compound with molecular formula C6H3ClN2O3S and molecular weight 217.95529 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,1,3-benzoxadiazole-4-sulfonyl chloride
Also Known As: 2,1,3-benzoxadiazole-4-sulfonyl chloride, Benzofurazan-4-sulfonyl chloride, benzofurazan-4-sulphonyl chloride, Benzo[c][1,2,5]oxadiazole-4-sulfonyl chloride, 4-(T-butyl)-benzylamine
Technical Specifications
| Molecular Formula | C6H3ClN2O3S |
| Molecular Weight | 217.95529 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.95529 Da |
| Heavy Atoms | 13 |
| Complexity | 289.0 |
| SMILES | C1=CC2=NON=C2C(=C1)S(=O)(=O)Cl |
| InChIKey | SIYWVPMYOGMRDW-UHFFFAOYSA-N |
Chemical Property Profile of 2,1,3-Benzoxadiazole-4-sulfonyl chloride
Property Insights of 2,1,3-Benzoxadiazole-4-sulfonyl chloride
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzoxadiazole-4-sulfonyl chloride. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,1,3-Benzoxadiazole-4-sulfonyl chloride. Following Lipinski's Rule of Five, 2,1,3-Benzoxadiazole-4-sulfonyl chloride 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
What is the CAS number of 2,1,3-Benzoxadiazole-4-sulfonyl chloride?
The CAS number of 2,1,3-Benzoxadiazole-4-sulfonyl chloride is 114322-14-4.
What is the molecular formula of 2,1,3-Benzoxadiazole-4-sulfonyl chloride?
The molecular formula of 2,1,3-Benzoxadiazole-4-sulfonyl chloride is C6H3ClN2O3S.
What is the molecular weight of 2,1,3-Benzoxadiazole-4-sulfonyl chloride?
The molecular weight of 2,1,3-Benzoxadiazole-4-sulfonyl chloride is 217.95529 g/mol.
Where can I buy 2,1,3-Benzoxadiazole-4-sulfonyl chloride?
You can request a quote for 2,1,3-Benzoxadiazole-4-sulfonyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,1,3-Benzoxadiazole-4-sulfonyl chloride?
Yes, CoreyChem provides custom synthesis services for 2,1,3-Benzoxadiazole-4-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.