2-ethoxy-6-[(2-fluorophenyl)sulfonylmethyl]pyridine

C14H14FNO3S — CID 75502945

IUPAC2-ethoxy-6-[(2-fluorophenyl)sulfonylmethyl]pyridine
SMILESCCOc1cccc(CS(=O)(=O)c2ccccc2F)n1
InChIInChI=1S/C14H14FNO3S/c1-2-19-14-9-5-6-11(16-14)10-20(17,18)13-8-4-3-7-12(13)15/h3-9H,2,10H2,1H3
InChIKeyGRTJSJARTCGRLG-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.59
Rot. Bonds5

About 2-ethoxy-6-[(2-fluorophenyl)sulfonylmethyl]pyridine

2-ethoxy-6-[(2-fluorophenyl)sulfonylmethyl]pyridine (PubChem CID 75502945) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-ethoxy-6-[(2-fluorophenyl)sulfonylmethyl]pyridine.

Molecular Properties

Compound Name2-ethoxy-6-[(2-fluorophenyl)sulfonylmethyl]pyridine
PubChem CID75502945
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Name2-ethoxy-6-[(2-fluorophenyl)sulfonylmethyl]pyridine
SMILESCCOc1cccc(CS(=O)(=O)c2ccccc2F)n1
InChIInChI=1S/C14H14FNO3S/c1-2-19-14-9-5-6-11(16-14)10-20(17,18)13-8-4-3-7-12(13)15/h3-9H,2,10H2,1H3
InChIKeyGRTJSJARTCGRLG-UHFFFAOYSA-N
XLogP2.59
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(2-fluorophenyl)sulfonylmethyl]pyridine?
The IUPAC name of 2-ethoxy-6-[(2-fluorophenyl)sulfonylmethyl]pyridine (CID 75502945) is 2-ethoxy-6-[(2-fluorophenyl)sulfonylmethyl]pyridine.
What is the SMILES notation for 2-ethoxy-6-[(2-fluorophenyl)sulfonylmethyl]pyridine?
The canonical SMILES for 2-ethoxy-6-[(2-fluorophenyl)sulfonylmethyl]pyridine is CCOc1cccc(CS(=O)(=O)c2ccccc2F)n1.
What is the InChIKey of 2-ethoxy-6-[(2-fluorophenyl)sulfonylmethyl]pyridine?
The InChIKey is GRTJSJARTCGRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-2-19-14-9-5-6-11(16-14)10-20(17,18)13-8-4-3-7-12(13)15/h3-9H,2,10H2,1H3.
What are the key properties of 2-ethoxy-6-[(2-fluorophenyl)sulfonylmethyl]pyridine?
2-ethoxy-6-[(2-fluorophenyl)sulfonylmethyl]pyridine has a molecular weight of 295.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(2-fluorophenyl)sulfonylmethyl]pyridine is sourced from PubChem (CID 75502945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).