2-[[2-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-3-pyridinyl]oxy]ethanol

C15H14F3NO4S — CID 18797535

IUPAC2-[[2-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-3-pyridinyl]oxy]ethanol
SMILESCS(=O)(=O)c1cccc(-c2ncc(C(F)(F)F)cc2OCCO)c1
InChIInChI=1S/C15H14F3NO4S/c1-24(21,22)12-4-2-3-10(7-12)14-13(23-6-5-20)8-11(9-19-14)15(16,17)18/h2-4,7-9,20H,5-6H2,1H3
InChIKeyKRXDFZMLXKDWSB-UHFFFAOYSA-N
MW361.34 g/mol
LogP2.54
Rot. Bonds5

About 2-[[2-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-3-pyridinyl]oxy]ethanol

2-[[2-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-3-pyridinyl]oxy]ethanol (PubChem CID 18797535) has the molecular formula C15H14F3NO4S and a molecular weight of 361.34 g/mol. Its IUPAC name is 2-[[2-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-3-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[2-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-3-pyridinyl]oxy]ethanol
PubChem CID18797535
Molecular FormulaC15H14F3NO4S
Molecular Weight361.34 g/mol
Exact Mass361.06
IUPAC Name2-[[2-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-3-pyridinyl]oxy]ethanol
SMILESCS(=O)(=O)c1cccc(-c2ncc(C(F)(F)F)cc2OCCO)c1
InChIInChI=1S/C15H14F3NO4S/c1-24(21,22)12-4-2-3-10(7-12)14-13(23-6-5-20)8-11(9-19-14)15(16,17)18/h2-4,7-9,20H,5-6H2,1H3
InChIKeyKRXDFZMLXKDWSB-UHFFFAOYSA-N
XLogP2.54
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-3-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[2-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-3-pyridinyl]oxy]ethanol (CID 18797535) is 2-[[2-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-3-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[2-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-3-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[2-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-3-pyridinyl]oxy]ethanol is CS(=O)(=O)c1cccc(-c2ncc(C(F)(F)F)cc2OCCO)c1.
What is the InChIKey of 2-[[2-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-3-pyridinyl]oxy]ethanol?
The InChIKey is KRXDFZMLXKDWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO4S/c1-24(21,22)12-4-2-3-10(7-12)14-13(23-6-5-20)8-11(9-19-14)15(16,17)18/h2-4,7-9,20H,5-6H2,1H3.
What are the key properties of 2-[[2-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-3-pyridinyl]oxy]ethanol?
2-[[2-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-3-pyridinyl]oxy]ethanol has a molecular weight of 361.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-3-pyridinyl]oxy]ethanol is sourced from PubChem (CID 18797535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).