N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
TL;DR: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide (CAS 19918-52-6) is a chemical compound with molecular formula C13H17N3O2S2 and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
Also Known As: BAS 03586455, N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide, BRD-K13032275-001-07-6, N-(5-tert-Butyl-[1,3,4]thiadiazol-2-yl)-4-methyl-benzenesulfonamide, [5-(tert-butyl)(1,3,4-thiadiazol-2-yl)][(4-methylphenyl)sulfonyl]amine
| Molecular Formula | C13H17N3O2S2 |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 2.94482 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.07623 |
| Heavy Atoms | 20 |
| Complexity | 697.96265 |
Chemical Identifiers
| CAS Number | 19918-52-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)C(C)(C)C |
Product Overview
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide (CAS 19918-52-6), with molecular formula C13H17N3O2S2 and molecular weight 311.08 g/mol. IUPAC: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide.
Chemical Property Profile of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
Property Insights of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
The XLogP value of 2.94482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide. Following Lipinski's Rule of Five, N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide has 1 hydrogen bond donor(s) and 5 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-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide?
The CAS number of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide is 19918-52-6.
What is the molecular formula of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide?
The molecular formula of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide is C13H17N3O2S2.
What is the molecular weight of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide?
The molecular weight of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide is 311.08 g/mol.
Where can I buy N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide?
You can request a quote for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.