TL;DR: Methyl 2-{[5-(trifluoromethyl)-2-pyridyl]sulfonyl}acetate (CAS 142274-37-1) is a chemical compound with molecular formula C9H8F3NO4S and molecular weight 283.0126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate
Also Known As: Maybridge1_001739, methyl 2-{[5-(trifluoromethyl)-2-pyridyl]sulfonyl}acetate, methyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylacetate, methyl 2-[[5-(TRIFLUOROMETHYL)-2-PYRIDYL]SULFONYL]ACETATE, Methyl 2-((5-(trifluoromethyl)pyridin-2-yl)sulfonyl)acetate
| Molecular Formula | C9H8F3NO4S |
| Molecular Weight | 283.0126 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.0126 Da |
| Heavy Atoms | 18 |
| Complexity | 401.0 |
| SMILES | COC(=O)CS(=O)(=O)C1=NC=C(C=C1)C(F)(F)F |
| InChIKey | PCBZIMCRNCIBHJ-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[5-(trifluoromethyl)-2-pyridyl]sulfonyl}acetate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[5-(trifluoromethyl)-2-pyridyl]sulfonyl}acetate. Following Lipinski's Rule of Five, Methyl 2-{[5-(trifluoromethyl)-2-pyridyl]sulfonyl}acetate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methyl 2-{[5-(trifluoromethyl)-2-pyridyl]sulfonyl}acetate is 142274-37-1.
The molecular formula of Methyl 2-{[5-(trifluoromethyl)-2-pyridyl]sulfonyl}acetate is C9H8F3NO4S.
The molecular weight of Methyl 2-{[5-(trifluoromethyl)-2-pyridyl]sulfonyl}acetate is 283.0126 g/mol.
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