4-chloro-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide
TL;DR: 4-chloro-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide (CAS 55080-63-2) is a chemical compound with molecular formula C9H9ClF3NO2S and molecular weight 287.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide
Also Known As: 4-chloro-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide, 4-chloro-N,N-dimethyl-3-(trifluoromethyl)benzene-1-sulfonamide, Benzenesulfonamide, 4-chloro-N,N-dimethyl-3-(trifluoromethyl)-
| Molecular Formula | C9H9ClF3NO2S |
|---|---|
| Molecular Weight | 287.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.99945 |
| Heavy Atoms | 17 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 55080-63-2 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(F)(F)F |
| InChIKey | FSWAOAVJJBDCAB-UHFFFAOYSA-N |
Product Overview
4-chloro-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide (CAS 55080-63-2), with molecular formula C9H9ClF3NO2S and molecular weight 287.00 g/mol. IUPAC: 4-chloro-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide.
Chemical Property Profile of 4-chloro-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide
Property Insights of 4-chloro-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide. With a topological polar surface area (TPSA) of 45.8 Ų, 4-chloro-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide has 0 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,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide?
The CAS number of 4-chloro-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide is 55080-63-2.
What is the molecular formula of 4-chloro-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide?
The molecular formula of 4-chloro-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide is C9H9ClF3NO2S.
What is the molecular weight of 4-chloro-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide?
The molecular weight of 4-chloro-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide is 287.00 g/mol.
Where can I buy 4-chloro-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide?
You can request a quote for 4-chloro-N,N-dimethyl-3-(trifluoromethyl)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,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.