N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide
TL;DR: N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide (CAS 42816-80-8) is a chemical compound with molecular formula C13H8N4O3S and molecular weight 300.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide
Also Known As: N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide, BIM-0005814.P001, Benzamide, N-2,1,3-benzothiadiazol-4-yl-4-nitro-, N-2,1,3-benzothiadiazol-4-yl-4-nitrobenzamide
| Molecular Formula | C13H8N4O3S |
|---|---|
| Molecular Weight | 300.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.0317 |
| Heavy Atoms | 21 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 42816-80-8 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | RASNJTILYILMAX-UHFFFAOYSA-N |
Product Overview
N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide (CAS 42816-80-8), with molecular formula C13H8N4O3S and molecular weight 300.03 g/mol. IUPAC: N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide.
Chemical Property Profile of N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide
Property Insights of N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide 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-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide?
The CAS number of N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide is 42816-80-8.
What is the molecular formula of N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide?
The molecular formula of N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide is C13H8N4O3S.
What is the molecular weight of N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide?
The molecular weight of N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide is 300.03 g/mol.
Where can I buy N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide?
You can request a quote for N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.