5-tert-butyl-N,2,3-trimethylbenzenesulfonamide
TL;DR: 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide (CAS 204850-99-7) is a chemical compound with molecular formula C13H21NO2S and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-N,2,3-trimethylbenzenesulfonamide
Also Known As: 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide, 2,3,N-Trimethyl-5-tert-butylbenzenesulfonamide, N,2,3-Trimethyl-5-tert-butylbenzenesulfonamide, 5-tert-Butyl-2,3,N-trimethyl-benzenesulfonamide, AQ-390/42131785
| Molecular Formula | C13H21NO2S |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 2.50904 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.1293 |
| Heavy Atoms | 17 |
| Complexity | 525.0858 |
Chemical Identifiers
| CAS Number | 204850-99-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)S(=O)(=O)NC)C(C)(C)C |
Product Overview
5-tert-butyl-N,2,3-trimethylbenzenesulfonamide (CAS 204850-99-7), with molecular formula C13H21NO2S and molecular weight 255.13 g/mol. IUPAC: 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide.
Chemical Property Profile of 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide
Property Insights of 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide
The XLogP value of 2.50904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide. With a topological polar surface area (TPSA) of 46.17 Ų, 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide has 1 hydrogen bond donor(s) and 2 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 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide?
The CAS number of 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide is 204850-99-7.
What is the molecular formula of 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide?
The molecular formula of 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide is C13H21NO2S.
What is the molecular weight of 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide?
The molecular weight of 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide is 255.13 g/mol.
Where can I buy 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide?
You can request a quote for 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.