N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
TL;DR: N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide (CAS 331247-70-2) is a chemical compound with molecular formula C12H8ClN3O2S2 and molecular weight 324.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
Also Known As: N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide, N-(4-chlorophenyl)benzo[c][1,2,5]thiadiazole-4-sulfonamide
| Molecular Formula | C12H8ClN3O2S2 |
|---|---|
| Molecular Weight | 324.97 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.97464 |
| Heavy Atoms | 20 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 331247-70-2 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=CC=C(C=C3)Cl |
| InChIKey | YDWQJRYMPAQSKZ-UHFFFAOYSA-N |
Product Overview
N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide (CAS 331247-70-2), with molecular formula C12H8ClN3O2S2 and molecular weight 324.97 g/mol. IUPAC: N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide.
Chemical Property Profile of N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
Property Insights of N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide 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 N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The CAS number of N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide is 331247-70-2.
What is the molecular formula of N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The molecular formula of N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide is C12H8ClN3O2S2.
What is the molecular weight of N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The molecular weight of N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide is 324.97 g/mol.
Where can I buy N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
You can request a quote for N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.