2-methylsulfonyl-4,6-diphenylpyridine-3-carbonitrile

C19H14N2O2S — CID 893661

IUPAC2-methylsulfonyl-4,6-diphenylpyridine-3-carbonitrile
SMILESCS(=O)(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C19H14N2O2S/c1-24(22,23)19-17(13-20)16(14-8-4-2-5-9-14)12-18(21-19)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyXVFXCHDTXGLVPB-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.69
Rot. Bonds3

About 2-methylsulfonyl-4,6-diphenylpyridine-3-carbonitrile

2-methylsulfonyl-4,6-diphenylpyridine-3-carbonitrile (PubChem CID 893661) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-methylsulfonyl-4,6-diphenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methylsulfonyl-4,6-diphenylpyridine-3-carbonitrile
PubChem CID893661
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name2-methylsulfonyl-4,6-diphenylpyridine-3-carbonitrile
SMILESCS(=O)(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C19H14N2O2S/c1-24(22,23)19-17(13-20)16(14-8-4-2-5-9-14)12-18(21-19)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyXVFXCHDTXGLVPB-UHFFFAOYSA-N
XLogP3.69
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4,6-diphenylpyridine-3-carbonitrile?
The IUPAC name of 2-methylsulfonyl-4,6-diphenylpyridine-3-carbonitrile (CID 893661) is 2-methylsulfonyl-4,6-diphenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-methylsulfonyl-4,6-diphenylpyridine-3-carbonitrile?
The canonical SMILES for 2-methylsulfonyl-4,6-diphenylpyridine-3-carbonitrile is CS(=O)(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N.
What is the InChIKey of 2-methylsulfonyl-4,6-diphenylpyridine-3-carbonitrile?
The InChIKey is XVFXCHDTXGLVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-24(22,23)19-17(13-20)16(14-8-4-2-5-9-14)12-18(21-19)15-10-6-3-7-11-15/h2-12H,1H3.
What are the key properties of 2-methylsulfonyl-4,6-diphenylpyridine-3-carbonitrile?
2-methylsulfonyl-4,6-diphenylpyridine-3-carbonitrile has a molecular weight of 334.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4,6-diphenylpyridine-3-carbonitrile is sourced from PubChem (CID 893661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).