N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide
TL;DR: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide (CAS 796098-28-7) is a chemical compound with molecular formula C12H13N3O3S2 and molecular weight 311.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide
Also Known As: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide, N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-4-(methanesulfonyl)benzamide
| Molecular Formula | C12H13N3O3S2 |
|---|---|
| Molecular Weight | 311.04 g/mol |
| LogP | 1.7563 |
| Topological Polar Surface Area | 89.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.03983 |
| Heavy Atoms | 20 |
| Complexity | 720.66077 |
Chemical Identifiers
| CAS Number | 796098-28-7 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C |
Product Overview
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide (CAS 796098-28-7), with molecular formula C12H13N3O3S2 and molecular weight 311.04 g/mol. IUPAC: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide.
Chemical Property Profile of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide
Property Insights of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide
The XLogP value of 1.7563 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide. The TPSA of 89.02 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide. Following Lipinski's Rule of Five, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide 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-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide?
The CAS number of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide is 796098-28-7.
What is the molecular formula of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide?
The molecular formula of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide is C12H13N3O3S2.
What is the molecular weight of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide?
The molecular weight of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide is 311.04 g/mol.
Where can I buy N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide?
You can request a quote for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.