4-tert-Butylbenzenesulfonamide
TL;DR: 4-tert-Butylbenzenesulfonamide (CAS 6953-64-6) is a chemical compound with molecular formula C10H15NO2S and molecular weight 213.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butylbenzenesulfonamide
Also Known As: 4-tert-Butylbenzenesulfonamide, 4-(tert-butyl)benzenesulfonamide, 4-tert-butylbenzenesulphonamide, Bosentan Impurity 6, 4-tert-butylbenzene-1-sulfonamide
| Molecular Formula | C10H15NO2S |
|---|---|
| Molecular Weight | 213.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.08235 |
| Heavy Atoms | 14 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 6953-64-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N |
| InChIKey | KYDZEZNYRFJCSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-tert-Butylbenzenesulfonamide (CAS 6953-64-6), with molecular formula C10H15NO2S and molecular weight 213.08 g/mol. IUPAC: 4-tert-butylbenzenesulfonamide.
Chemical Property Profile of 4-tert-Butylbenzenesulfonamide
Property Insights of 4-tert-Butylbenzenesulfonamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-Butylbenzenesulfonamide. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-Butylbenzenesulfonamide. Following Lipinski's Rule of Five, 4-tert-Butylbenzenesulfonamide has 1 hydrogen bond donor(s) and 3 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-tert-Butylbenzenesulfonamide?
The CAS number of 4-tert-Butylbenzenesulfonamide is 6953-64-6.
What is the molecular formula of 4-tert-Butylbenzenesulfonamide?
The molecular formula of 4-tert-Butylbenzenesulfonamide is C10H15NO2S.
What is the molecular weight of 4-tert-Butylbenzenesulfonamide?
The molecular weight of 4-tert-Butylbenzenesulfonamide is 213.08 g/mol.
Where can I buy 4-tert-Butylbenzenesulfonamide?
You can request a quote for 4-tert-Butylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.