![2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid structure](/static/products/498/498537-48-7.png)
2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid
TL;DR: 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid (CAS 498537-48-7) is a chemical compound with molecular formula C15H13N3O4S2 and molecular weight 363.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(ethyl)amino]benzoic acid
Also Known As: ChemDiv2_004326, IDI1_003041, A2924/0123097, 2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid, 2-(N-ethylbenzo[c][1,2,5]thiadiazole-4-sulfonamido)benzoic acid
| Molecular Formula | C15H13N3O4S2 |
|---|---|
| Molecular Weight | 363.03 g/mol |
| LogP | 2.6047 |
| Topological Polar Surface Area | 100.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.03476 |
| Heavy Atoms | 24 |
| Complexity | 1014.2409 |
Chemical Identifiers
| CAS Number | 498537-48-7 |
|---|---|
| SMILES | CCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC=CC3=NSN=C32 |
Product Overview
2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid (CAS 498537-48-7), with molecular formula C15H13N3O4S2 and molecular weight 363.03 g/mol. IUPAC: 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(ethyl)amino]benzoic acid.
Chemical Property Profile of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid
Property Insights of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid
The XLogP value of 2.6047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid. The TPSA of 100.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid. Following Lipinski's Rule of Five, 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid has 1 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-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid?
The CAS number of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid is 498537-48-7.
What is the molecular formula of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid?
The molecular formula of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid is C15H13N3O4S2.
What is the molecular weight of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid?
The molecular weight of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid is 363.03 g/mol.
Where can I buy 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid?
You can request a quote for 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)(ethyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.