2-[(E)-1-fluoro-4-phenylbut-1-enyl]sulfonylpyridine

C15H14FNO2S — CID 23237153

IUPAC2-[(E)-1-fluoro-4-phenylbut-1-enyl]sulfonylpyridine
SMILESO=S(=O)(/C(F)=C/CCc1ccccc1)c1ccccn1
InChIInChI=1S/C15H14FNO2S/c16-14(10-6-9-13-7-2-1-3-8-13)20(18,19)15-11-4-5-12-17-15/h1-5,7-8,10-12H,6,9H2/b14-10+
InChIKeySYJJPXBGIXIFCX-GXDHUFHOSA-N
MW291.35 g/mol
LogP3.30
Rot. Bonds5

About 2-[(E)-1-fluoro-4-phenylbut-1-enyl]sulfonylpyridine

2-[(E)-1-fluoro-4-phenylbut-1-enyl]sulfonylpyridine (PubChem CID 23237153) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(E)-1-fluoro-4-phenylbut-1-enyl]sulfonylpyridine.

Molecular Properties

Compound Name2-[(E)-1-fluoro-4-phenylbut-1-enyl]sulfonylpyridine
PubChem CID23237153
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name2-[(E)-1-fluoro-4-phenylbut-1-enyl]sulfonylpyridine
SMILESO=S(=O)(/C(F)=C/CCc1ccccc1)c1ccccn1
InChIInChI=1S/C15H14FNO2S/c16-14(10-6-9-13-7-2-1-3-8-13)20(18,19)15-11-4-5-12-17-15/h1-5,7-8,10-12H,6,9H2/b14-10+
InChIKeySYJJPXBGIXIFCX-GXDHUFHOSA-N
XLogP3.30
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-fluoro-4-phenylbut-1-enyl]sulfonylpyridine?
The IUPAC name of 2-[(E)-1-fluoro-4-phenylbut-1-enyl]sulfonylpyridine (CID 23237153) is 2-[(E)-1-fluoro-4-phenylbut-1-enyl]sulfonylpyridine.
What is the SMILES notation for 2-[(E)-1-fluoro-4-phenylbut-1-enyl]sulfonylpyridine?
The canonical SMILES for 2-[(E)-1-fluoro-4-phenylbut-1-enyl]sulfonylpyridine is O=S(=O)(/C(F)=C/CCc1ccccc1)c1ccccn1.
What is the InChIKey of 2-[(E)-1-fluoro-4-phenylbut-1-enyl]sulfonylpyridine?
The InChIKey is SYJJPXBGIXIFCX-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H14FNO2S/c16-14(10-6-9-13-7-2-1-3-8-13)20(18,19)15-11-4-5-12-17-15/h1-5,7-8,10-12H,6,9H2/b14-10+.
What are the key properties of 2-[(E)-1-fluoro-4-phenylbut-1-enyl]sulfonylpyridine?
2-[(E)-1-fluoro-4-phenylbut-1-enyl]sulfonylpyridine has a molecular weight of 291.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-fluoro-4-phenylbut-1-enyl]sulfonylpyridine is sourced from PubChem (CID 23237153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).