2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine

C19H12F3NO2S — CID 21099465

IUPAC2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine
SMILESO=S(=O)(c1ccc(/C=C/c2ccc(F)cc2F)nc1)c1ccccc1F
InChIInChI=1S/C19H12F3NO2S/c20-14-7-5-13(18(22)11-14)6-8-15-9-10-16(12-23-15)26(24,25)19-4-2-1-3-17(19)21/h1-12H/b8-6+
InChIKeyPNIRAOQLYCRNSM-SOFGYWHQSA-N
MW375.37 g/mol
LogP4.50
Rot. Bonds4

About 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine

2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine (PubChem CID 21099465) has the molecular formula C19H12F3NO2S and a molecular weight of 375.37 g/mol. Its IUPAC name is 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine.

Molecular Properties

Compound Name2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine
PubChem CID21099465
Molecular FormulaC19H12F3NO2S
Molecular Weight375.37 g/mol
Exact Mass375.05
IUPAC Name2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine
SMILESO=S(=O)(c1ccc(/C=C/c2ccc(F)cc2F)nc1)c1ccccc1F
InChIInChI=1S/C19H12F3NO2S/c20-14-7-5-13(18(22)11-14)6-8-15-9-10-16(12-23-15)26(24,25)19-4-2-1-3-17(19)21/h1-12H/b8-6+
InChIKeyPNIRAOQLYCRNSM-SOFGYWHQSA-N
XLogP4.50
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine?
The IUPAC name of 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine (CID 21099465) is 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine.
What is the SMILES notation for 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine?
The canonical SMILES for 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine is O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2F)nc1)c1ccccc1F.
What is the InChIKey of 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine?
The InChIKey is PNIRAOQLYCRNSM-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H12F3NO2S/c20-14-7-5-13(18(22)11-14)6-8-15-9-10-16(12-23-15)26(24,25)19-4-2-1-3-17(19)21/h1-12H/b8-6+.
What are the key properties of 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine?
2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine has a molecular weight of 375.37 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine is sourced from PubChem (CID 21099465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).