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

C19H12F3NO2S — CID 68530611

IUPAC2-[2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine
SMILESO=S(=O)(c1ccc(C=Cc2ccc(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
InChIKeyPNIRAOQLYCRNSM-UHFFFAOYSA-N
MW375.37 g/mol
LogP4.50
Rot. Bonds4

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

2-[2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine (PubChem CID 68530611) has the molecular formula C19H12F3NO2S and a molecular weight of 375.37 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine
PubChem CID68530611
Molecular FormulaC19H12F3NO2S
Molecular Weight375.37 g/mol
Exact Mass375.05
IUPAC Name2-[2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine
SMILESO=S(=O)(c1ccc(C=Cc2ccc(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
InChIKeyPNIRAOQLYCRNSM-UHFFFAOYSA-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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Related Compounds

1-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenyl]-4-methylpiperazine
CID 68536464
5-(3-bromophenyl)sulfonyl-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine
CID 21099466
2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-(2-fluorophenyl)sulfonylpyridine
CID 11494537
2-[2-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)sulfonylpyridine
CID 21099406
2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide
CID 21099433
2-[2-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]propan-2-ol
CID 68530629
2-[2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]propan-2-ol;2-[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]propan-2-ol
CID 68535883
2-[4-[2-(2,4-difluorophenyl)ethenyl]-3-methylphenyl]sulfonylbenzamide
CID 68532855
2-[2-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]-5-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]hexane-2,5-diol
CID 68535884
1-[2-[4-(3-bromophenyl)sulfonylphenyl]ethenyl]-2,4-difluorobenzene
CID 68533166
2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene
CID 21099422
potassium 3-(2,4-difluorophenyl)sulfonylbenzenesulfonate
CID 142697327

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine?
The IUPAC name of 2-[2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine (CID 68530611) is 2-[2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine is O=S(=O)(c1ccc(C=Cc2ccc(F)cc2F)nc1)c1ccccc1F.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine?
The InChIKey is PNIRAOQLYCRNSM-UHFFFAOYSA-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.
What are the key properties of 2-[2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine?
2-[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-[2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine is sourced from PubChem (CID 68530611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).