p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-
TL;DR: p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)- (CAS 3572-41-6) 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.
4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
Also Known As: 4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide, p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-, 4-27-00-08084 (Beilstein Handbook Reference), 2-p-Methylbenzenesulfonamido-5-isobutyl-1,3,4-thiadiazole, N-(5-Isobutyl-1,3,4-thiadiazol-2-yl)-p-toluenesulfonamide
| Molecular Formula | C13H17N3O2S2 |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.07623 |
| Heavy Atoms | 20 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 3572-41-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)CC(C)C |
| InChIKey | PCAGBWNSEHFSDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)- (CAS 3572-41-6), with molecular formula C13H17N3O2S2 and molecular weight 311.08 g/mol. IUPAC: 4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.
Chemical Property Profile of p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-
Property Insights of p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-. Following Lipinski's Rule of Five, p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)- 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 p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-?
The CAS number of p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)- is 3572-41-6.
What is the molecular formula of p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-?
The molecular formula of p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)- is C13H17N3O2S2.
What is the molecular weight of p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-?
The molecular weight of p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)- is 311.08 g/mol.
Where can I buy p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-?
You can request a quote for p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-?
Yes, KEHONG BIO provides custom synthesis services for p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.