2-(2,1,3-Benzothiadiazol-4-ylsulfonylamino)benzoic acid
TL;DR: 2-(2,1,3-Benzothiadiazol-4-ylsulfonylamino)benzoic acid (CAS 138323-23-6) is a chemical compound with molecular formula C13H9N3O4S2 and molecular weight 335.00345 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)benzoic acid
Also Known As: 5-(2-Fluorophenyl)tetrazole, 2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-benzoic acid, BAS 02285615, 2-(2,1,3-benzothiadiazole-4-sulfonamido)benzoic acid, IDI1_004314
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H9N3O4S2 |
| Molecular Weight | 335.00345 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.00345 Da |
| Heavy Atoms | 22 |
| Complexity | 522.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=CC3=NSN=C32 |
| InChIKey | VUAJTZUMXHXMEC-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2,1,3-Benzothiadiazol-4-ylsulfonylamino)benzoic acid
Property Insights of 2-(2,1,3-Benzothiadiazol-4-ylsulfonylamino)benzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,1,3-Benzothiadiazol-4-ylsulfonylamino)benzoic acid. The TPSA of 146.0 Ų indicates high polarity, suggesting 2-(2,1,3-Benzothiadiazol-4-ylsulfonylamino)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2,1,3-Benzothiadiazol-4-ylsulfonylamino)benzoic acid has 2 hydrogen bond donor(s) and 8 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-(2,1,3-Benzothiadiazol-4-ylsulfonylamino)benzoic acid?
The CAS number of 2-(2,1,3-Benzothiadiazol-4-ylsulfonylamino)benzoic acid is 138323-23-6.
What is the molecular formula of 2-(2,1,3-Benzothiadiazol-4-ylsulfonylamino)benzoic acid?
The molecular formula of 2-(2,1,3-Benzothiadiazol-4-ylsulfonylamino)benzoic acid is C13H9N3O4S2.
What is the molecular weight of 2-(2,1,3-Benzothiadiazol-4-ylsulfonylamino)benzoic acid?
The molecular weight of 2-(2,1,3-Benzothiadiazol-4-ylsulfonylamino)benzoic acid is 335.00345 g/mol.
Where can I buy 2-(2,1,3-Benzothiadiazol-4-ylsulfonylamino)benzoic acid?
You can request a quote for 2-(2,1,3-Benzothiadiazol-4-ylsulfonylamino)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2,1,3-Benzothiadiazol-4-ylsulfonylamino)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(2,1,3-Benzothiadiazol-4-ylsulfonylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.