N-tert-butyl-3,4-difluorobenzenesulfonamide
TL;DR: N-tert-butyl-3,4-difluorobenzenesulfonamide (CAS 898075-45-1) is a chemical compound with molecular formula C10H13F2NO2S and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-3,4-difluorobenzenesulfonamide
Also Known As: N-(tert-butyl)-3,4-difluorobenzenesulfonamide, N-tert-butyl-3,4-difluorobenzenesulfonamide, [(3,4-difluorophenyl)sulfonyl](tert-butyl)amine, 3,4-DIFLUORO-N-(2-METHYL-2-PROPANYL)BENZENESULFONAMIDE
| Molecular Formula | C10H13F2NO2S |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 2.0416 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.0635 |
| Heavy Atoms | 16 |
| Complexity | 492.03076 |
Chemical Identifiers
| CAS Number | 898075-45-1 |
|---|---|
| SMILES | CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)F)F |
Product Overview
N-tert-butyl-3,4-difluorobenzenesulfonamide (CAS 898075-45-1), with molecular formula C10H13F2NO2S and molecular weight 249.06 g/mol. IUPAC: N-tert-butyl-3,4-difluorobenzenesulfonamide.
Chemical Property Profile of N-tert-butyl-3,4-difluorobenzenesulfonamide
Property Insights of N-tert-butyl-3,4-difluorobenzenesulfonamide
The XLogP value of 2.0416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-3,4-difluorobenzenesulfonamide. With a topological polar surface area (TPSA) of 46.17 Ų, N-tert-butyl-3,4-difluorobenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-3,4-difluorobenzenesulfonamide 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 N-tert-butyl-3,4-difluorobenzenesulfonamide?
The CAS number of N-tert-butyl-3,4-difluorobenzenesulfonamide is 898075-45-1.
What is the molecular formula of N-tert-butyl-3,4-difluorobenzenesulfonamide?
The molecular formula of N-tert-butyl-3,4-difluorobenzenesulfonamide is C10H13F2NO2S.
What is the molecular weight of N-tert-butyl-3,4-difluorobenzenesulfonamide?
The molecular weight of N-tert-butyl-3,4-difluorobenzenesulfonamide is 249.06 g/mol.
Where can I buy N-tert-butyl-3,4-difluorobenzenesulfonamide?
You can request a quote for N-tert-butyl-3,4-difluorobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butyl-3,4-difluorobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-3,4-difluorobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.