2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine

C16H14F4N2O2S — CID 166317932

IUPAC2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine
SMILESCC1(c2ccc(F)cc2)CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C16H14F4N2O2S/c1-15(11-2-5-13(17)6-3-11)9-22(10-15)25(23,24)14-7-4-12(8-21-14)16(18,19)20/h2-8H,9-10H2,1H3
InChIKeyCOGCBVCRVUQEER-UHFFFAOYSA-N
MW374.36 g/mol
LogP3.20
Rot. Bonds3

About 2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine

2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine (PubChem CID 166317932) has the molecular formula C16H14F4N2O2S and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine
PubChem CID166317932
Molecular FormulaC16H14F4N2O2S
Molecular Weight374.36 g/mol
Exact Mass374.07
IUPAC Name2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine
SMILESCC1(c2ccc(F)cc2)CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C16H14F4N2O2S/c1-15(11-2-5-13(17)6-3-11)9-22(10-15)25(23,24)14-7-4-12(8-21-14)16(18,19)20/h2-8H,9-10H2,1H3
InChIKeyCOGCBVCRVUQEER-UHFFFAOYSA-N
XLogP3.20
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine (CID 166317932) is 2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine is CC1(c2ccc(F)cc2)CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine?
The InChIKey is COGCBVCRVUQEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O2S/c1-15(11-2-5-13(17)6-3-11)9-22(10-15)25(23,24)14-7-4-12(8-21-14)16(18,19)20/h2-8H,9-10H2,1H3.
What are the key properties of 2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine?
2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine has a molecular weight of 374.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 166317932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).