4-[2-(3-fluoro-4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile

C19H13FN2O2S — CID 70123001

IUPAC4-[2-(3-fluoro-4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile
SMILESCS(=O)(=O)c1ccc(-c2ncccc2-c2ccc(C#N)cc2)cc1F
InChIInChI=1S/C19H13FN2O2S/c1-25(23,24)18-9-8-15(11-17(18)20)19-16(3-2-10-22-19)14-6-4-13(12-21)5-7-14/h2-11H,1H3
InChIKeyPJKDNZBJRYFCRC-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.83
Rot. Bonds3

About 4-[2-(3-fluoro-4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile

4-[2-(3-fluoro-4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile (PubChem CID 70123001) has the molecular formula C19H13FN2O2S and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[2-(3-fluoro-4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(3-fluoro-4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile
PubChem CID70123001
Molecular FormulaC19H13FN2O2S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC Name4-[2-(3-fluoro-4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile
SMILESCS(=O)(=O)c1ccc(-c2ncccc2-c2ccc(C#N)cc2)cc1F
InChIInChI=1S/C19H13FN2O2S/c1-25(23,24)18-9-8-15(11-17(18)20)19-16(3-2-10-22-19)14-6-4-13(12-21)5-7-14/h2-11H,1H3
InChIKeyPJKDNZBJRYFCRC-UHFFFAOYSA-N
XLogP3.83
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(3-fluoro-4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile?
The IUPAC name of 4-[2-(3-fluoro-4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile (CID 70123001) is 4-[2-(3-fluoro-4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[2-(3-fluoro-4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-[2-(3-fluoro-4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile is CS(=O)(=O)c1ccc(-c2ncccc2-c2ccc(C#N)cc2)cc1F.
What is the InChIKey of 4-[2-(3-fluoro-4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile?
The InChIKey is PJKDNZBJRYFCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2S/c1-25(23,24)18-9-8-15(11-17(18)20)19-16(3-2-10-22-19)14-6-4-13(12-21)5-7-14/h2-11H,1H3.
What are the key properties of 4-[2-(3-fluoro-4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile?
4-[2-(3-fluoro-4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile has a molecular weight of 352.39 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoro-4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile is sourced from PubChem (CID 70123001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).