2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile

C20H13FN2O2S — CID 68880762

IUPAC2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C20H13FN2O2S/c21-18-9-5-15(6-10-18)3-4-16-7-11-19(12-8-16)26(24,25)20-17(14-22)2-1-13-23-20/h1-13H/b4-3+
InChIKeyCSNPUMUPLZUGQD-ONEGZZNKSA-N
MW364.40 g/mol
LogP4.10
Rot. Bonds4

About 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile

2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile (PubChem CID 68880762) has the molecular formula C20H13FN2O2S and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile
PubChem CID68880762
Molecular FormulaC20H13FN2O2S
Molecular Weight364.40 g/mol
Exact Mass364.07
IUPAC Name2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C20H13FN2O2S/c21-18-9-5-15(6-10-18)3-4-16-7-11-19(12-8-16)26(24,25)20-17(14-22)2-1-13-23-20/h1-13H/b4-3+
InChIKeyCSNPUMUPLZUGQD-ONEGZZNKSA-N
XLogP4.10
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile?
The IUPAC name of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile (CID 68880762) is 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile is N#Cc1cccnc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile?
The InChIKey is CSNPUMUPLZUGQD-ONEGZZNKSA-N. The full InChI is InChI=1S/C20H13FN2O2S/c21-18-9-5-15(6-10-18)3-4-16-7-11-19(12-8-16)26(24,25)20-17(14-22)2-1-13-23-20/h1-13H/b4-3+.
What are the key properties of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile?
2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile has a molecular weight of 364.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile is sourced from PubChem (CID 68880762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).