2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]propan-2-ol

C22H20FNO3S — CID 68877945

IUPAC2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccnc1S(=O)(=O)c1ccc(/C=C/c2ccccc2F)cc1
InChIInChI=1S/C22H20FNO3S/c1-22(2,25)19-7-5-15-24-21(19)28(26,27)18-13-10-16(11-14-18)9-12-17-6-3-4-8-20(17)23/h3-15,25H,1-2H3/b12-9+
InChIKeyKUHNRFKLDHFKSA-FMIVXFBMSA-N
MW397.47 g/mol
LogP4.45
Rot. Bonds5

About 2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]propan-2-ol

2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]propan-2-ol (PubChem CID 68877945) has the molecular formula C22H20FNO3S and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]propan-2-ol
PubChem CID68877945
Molecular FormulaC22H20FNO3S
Molecular Weight397.47 g/mol
Exact Mass397.11
IUPAC Name2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccnc1S(=O)(=O)c1ccc(/C=C/c2ccccc2F)cc1
InChIInChI=1S/C22H20FNO3S/c1-22(2,25)19-7-5-15-24-21(19)28(26,27)18-13-10-16(11-14-18)9-12-17-6-3-4-8-20(17)23/h3-15,25H,1-2H3/b12-9+
InChIKeyKUHNRFKLDHFKSA-FMIVXFBMSA-N
XLogP4.45
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridin-3-amine
CID 68878850
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
2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carboxamide
CID 68879948
2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonyl chloride
CID 173123393
2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile
CID 68880762
2-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol
CID 166436804
1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 10036098
1-fluoro-2-[(Z)-2-phenylethenyl]benzene
CID 46218050
2-chloropyridine-3-carbonitrile;2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile
CID 162148560
4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-dimethylaniline
CID 6538416

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]propan-2-ol (CID 68877945) is 2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]propan-2-ol is CC(C)(O)c1cccnc1S(=O)(=O)c1ccc(/C=C/c2ccccc2F)cc1.
What is the InChIKey of 2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]propan-2-ol?
The InChIKey is KUHNRFKLDHFKSA-FMIVXFBMSA-N. The full InChI is InChI=1S/C22H20FNO3S/c1-22(2,25)19-7-5-15-24-21(19)28(26,27)18-13-10-16(11-14-18)9-12-17-6-3-4-8-20(17)23/h3-15,25H,1-2H3/b12-9+.
What are the key properties of 2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]propan-2-ol?
2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]propan-2-ol has a molecular weight of 397.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 68877945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).