3-ethylsulfonyl-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine

C15H15F3N2O3S — CID 137470143

IUPAC3-ethylsulfonyl-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine
SMILESCCS(=O)(=O)c1cccnc1-c1ccc(COCC(F)(F)F)cn1
InChIInChI=1S/C15H15F3N2O3S/c1-2-24(21,22)13-4-3-7-19-14(13)12-6-5-11(8-20-12)9-23-10-15(16,17)18/h3-8H,2,9-10H2,1H3
InChIKeyRBLNOFSXJPUMCW-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.02
Rot. Bonds6

About 3-ethylsulfonyl-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine

3-ethylsulfonyl-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine (PubChem CID 137470143) has the molecular formula C15H15F3N2O3S and a molecular weight of 360.36 g/mol. Its IUPAC name is 3-ethylsulfonyl-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name3-ethylsulfonyl-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine
PubChem CID137470143
Molecular FormulaC15H15F3N2O3S
Molecular Weight360.36 g/mol
Exact Mass360.08
IUPAC Name3-ethylsulfonyl-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine
SMILESCCS(=O)(=O)c1cccnc1-c1ccc(COCC(F)(F)F)cn1
InChIInChI=1S/C15H15F3N2O3S/c1-2-24(21,22)13-4-3-7-19-14(13)12-6-5-11(8-20-12)9-23-10-15(16,17)18/h3-8H,2,9-10H2,1H3
InChIKeyRBLNOFSXJPUMCW-UHFFFAOYSA-N
XLogP3.02
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine?
The IUPAC name of 3-ethylsulfonyl-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine (CID 137470143) is 3-ethylsulfonyl-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 3-ethylsulfonyl-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 3-ethylsulfonyl-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine is CCS(=O)(=O)c1cccnc1-c1ccc(COCC(F)(F)F)cn1.
What is the InChIKey of 3-ethylsulfonyl-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine?
The InChIKey is RBLNOFSXJPUMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3S/c1-2-24(21,22)13-4-3-7-19-14(13)12-6-5-11(8-20-12)9-23-10-15(16,17)18/h3-8H,2,9-10H2,1H3.
What are the key properties of 3-ethylsulfonyl-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine?
3-ethylsulfonyl-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine has a molecular weight of 360.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 137470143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).