3-(4-fluorophenyl)sulfonylpyridine-4-carbaldehyde

C12H8FNO3S — CID 86652182

IUPAC3-(4-fluorophenyl)sulfonylpyridine-4-carbaldehyde
SMILESO=Cc1ccncc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H8FNO3S/c13-10-1-3-11(4-2-10)18(16,17)12-7-14-6-5-9(12)8-15/h1-8H
InChIKeyZLEWDYATZOGVOA-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.87
Rot. Bonds3

About 3-(4-fluorophenyl)sulfonylpyridine-4-carbaldehyde

3-(4-fluorophenyl)sulfonylpyridine-4-carbaldehyde (PubChem CID 86652182) has the molecular formula C12H8FNO3S and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonylpyridine-4-carbaldehyde
PubChem CID86652182
Molecular FormulaC12H8FNO3S
Molecular Weight265.26 g/mol
Exact Mass265.02
IUPAC Name3-(4-fluorophenyl)sulfonylpyridine-4-carbaldehyde
SMILESO=Cc1ccncc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H8FNO3S/c13-10-1-3-11(4-2-10)18(16,17)12-7-14-6-5-9(12)8-15/h1-8H
InChIKeyZLEWDYATZOGVOA-UHFFFAOYSA-N
XLogP1.87
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonylpyridine-4-carbaldehyde?
The IUPAC name of 3-(4-fluorophenyl)sulfonylpyridine-4-carbaldehyde (CID 86652182) is 3-(4-fluorophenyl)sulfonylpyridine-4-carbaldehyde.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonylpyridine-4-carbaldehyde?
The canonical SMILES for 3-(4-fluorophenyl)sulfonylpyridine-4-carbaldehyde is O=Cc1ccncc1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonylpyridine-4-carbaldehyde?
The InChIKey is ZLEWDYATZOGVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3S/c13-10-1-3-11(4-2-10)18(16,17)12-7-14-6-5-9(12)8-15/h1-8H.
What are the key properties of 3-(4-fluorophenyl)sulfonylpyridine-4-carbaldehyde?
3-(4-fluorophenyl)sulfonylpyridine-4-carbaldehyde has a molecular weight of 265.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonylpyridine-4-carbaldehyde is sourced from PubChem (CID 86652182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).