3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 189033-41-8) is a chemical compound with molecular formula C9H7N5O5S2 and molecular weight 328.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
Also Known As: 4-ethynyl-4'-heptylbiphenyl, 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide, NCI60_035394, (3-nitrophenyl)-N-(5-sulfamoyl(1,3,4-thiadiazol-2-yl))carboxamide, Benzamide, N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]-3-nitro-
| Molecular Formula | C9H7N5O5S2 |
|---|---|
| Molecular Weight | 328.99 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.98886 |
| Heavy Atoms | 21 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 189033-41-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NN=C(S2)S(=O)(=O)N |
| InChIKey | CJCAHWZPHQVRDD-UHFFFAOYSA-N |
Product Overview
3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 189033-41-8), with molecular formula C9H7N5O5S2 and molecular weight 328.99 g/mol. IUPAC: 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide.
Chemical Property Profile of 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide. The TPSA of 197.0 Ų indicates high polarity, suggesting 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide has 2 hydrogen bond donor(s) and 9 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 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide is 189033-41-8.
What is the molecular formula of 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide is C9H7N5O5S2.
What is the molecular weight of 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide is 328.99 g/mol.
Where can I buy 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.