4-Chloro-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide
TL;DR: 4-Chloro-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CAS 1553-52-2) is a chemical compound with molecular formula C12H14ClN3O2S2 and molecular weight 331.02 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-chlorobenzenesulfonamide
Also Known As: TH 1391, 1391 TH, BAS 03586431, Benzenesulfonamide, N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-p-chloro-, 4-27-00-08085 (Beilstein Handbook Reference)
| Molecular Formula | C12H14ClN3O2S2 |
|---|---|
| Molecular Weight | 331.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.0216 |
| Heavy Atoms | 20 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 1553-52-2 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | HQLOBCHPCJOPHH-UHFFFAOYSA-N |
Product Overview
4-Chloro-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CAS 1553-52-2), with molecular formula C12H14ClN3O2S2 and molecular weight 331.02 g/mol. IUPAC: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-chlorobenzenesulfonamide.
Chemical Property Profile of 4-Chloro-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Property Insights of 4-Chloro-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide
The XLogP value of 3.2 indicates that 4-Chloro-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-Chloro-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide 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 4-Chloro-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The CAS number of 4-Chloro-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide is 1553-52-2.
What is the molecular formula of 4-Chloro-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The molecular formula of 4-Chloro-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide is C12H14ClN3O2S2.
What is the molecular weight of 4-Chloro-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The molecular weight of 4-Chloro-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide is 331.02 g/mol.
Where can I buy 4-Chloro-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
You can request a quote for 4-Chloro-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.