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

C20H14FNO3S — CID 90686512

IUPAC2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbaldehyde
SMILESO=Cc1cccnc1S(=O)(=O)c1ccc(C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H14FNO3S/c21-18-9-5-15(6-10-18)3-4-16-7-11-19(12-8-16)26(24,25)20-17(14-23)2-1-13-22-20/h1-14H
InChIKeyGZQJJLUGZNBYQQ-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.04
Rot. Bonds5

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

2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbaldehyde (PubChem CID 90686512) has the molecular formula C20H14FNO3S and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbaldehyde
PubChem CID90686512
Molecular FormulaC20H14FNO3S
Molecular Weight367.40 g/mol
Exact Mass367.07
IUPAC Name2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbaldehyde
SMILESO=Cc1cccnc1S(=O)(=O)c1ccc(C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H14FNO3S/c21-18-9-5-15(6-10-18)3-4-16-7-11-19(12-8-16)26(24,25)20-17(14-23)2-1-13-22-20/h1-14H
InChIKeyGZQJJLUGZNBYQQ-UHFFFAOYSA-N
XLogP4.04
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbaldehyde?
The IUPAC name of 2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbaldehyde (CID 90686512) is 2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbaldehyde?
The canonical SMILES for 2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbaldehyde is O=Cc1cccnc1S(=O)(=O)c1ccc(C=Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbaldehyde?
The InChIKey is GZQJJLUGZNBYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO3S/c21-18-9-5-15(6-10-18)3-4-16-7-11-19(12-8-16)26(24,25)20-17(14-23)2-1-13-22-20/h1-14H.
What are the key properties of 2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbaldehyde?
2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbaldehyde has a molecular weight of 367.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbaldehyde is sourced from PubChem (CID 90686512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).