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

C16H16F4N2O3S — CID 137396296

IUPAC3-ethylsulfonyl-2-[5-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]pyridine
SMILESCCS(=O)(=O)c1cccnc1-c1ccc(COCC(F)(F)C(F)F)cn1
InChIInChI=1S/C16H16F4N2O3S/c1-2-26(23,24)13-4-3-7-21-14(13)12-6-5-11(8-22-12)9-25-10-16(19,20)15(17)18/h3-8,15H,2,9-10H2,1H3
InChIKeyFGFFBKJFPRCXQZ-UHFFFAOYSA-N
MW392.37 g/mol
LogP3.35
Rot. Bonds8

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

3-ethylsulfonyl-2-[5-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]pyridine (PubChem CID 137396296) has the molecular formula C16H16F4N2O3S and a molecular weight of 392.37 g/mol. Its IUPAC name is 3-ethylsulfonyl-2-[5-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name3-ethylsulfonyl-2-[5-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]pyridine
PubChem CID137396296
Molecular FormulaC16H16F4N2O3S
Molecular Weight392.37 g/mol
Exact Mass392.08
IUPAC Name3-ethylsulfonyl-2-[5-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]pyridine
SMILESCCS(=O)(=O)c1cccnc1-c1ccc(COCC(F)(F)C(F)F)cn1
InChIInChI=1S/C16H16F4N2O3S/c1-2-26(23,24)13-4-3-7-21-14(13)12-6-5-11(8-22-12)9-25-10-16(19,20)15(17)18/h3-8,15H,2,9-10H2,1H3
InChIKeyFGFFBKJFPRCXQZ-UHFFFAOYSA-N
XLogP3.35
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-ethylsulfonyl-2-[5-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-2-[5-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]pyridine?
The IUPAC name of 3-ethylsulfonyl-2-[5-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]pyridine (CID 137396296) is 3-ethylsulfonyl-2-[5-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 3-ethylsulfonyl-2-[5-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 3-ethylsulfonyl-2-[5-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]pyridine is CCS(=O)(=O)c1cccnc1-c1ccc(COCC(F)(F)C(F)F)cn1.
What is the InChIKey of 3-ethylsulfonyl-2-[5-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]pyridine?
The InChIKey is FGFFBKJFPRCXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N2O3S/c1-2-26(23,24)13-4-3-7-21-14(13)12-6-5-11(8-22-12)9-25-10-16(19,20)15(17)18/h3-8,15H,2,9-10H2,1H3.
What are the key properties of 3-ethylsulfonyl-2-[5-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]pyridine?
3-ethylsulfonyl-2-[5-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]pyridine has a molecular weight of 392.37 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-2-[5-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 137396296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).