2-phenyl-2-pyridin-2-ylsulfonylacetonitrile

C13H10N2O2S — CID 25186357

IUPAC2-phenyl-2-pyridin-2-ylsulfonylacetonitrile
SMILESN#CC(c1ccccc1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C13H10N2O2S/c14-10-12(11-6-2-1-3-7-11)18(16,17)13-8-4-5-9-15-13/h1-9,12H
InChIKeyZTJFYLPMFXIVHZ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.12
Rot. Bonds3

About 2-phenyl-2-pyridin-2-ylsulfonylacetonitrile

2-phenyl-2-pyridin-2-ylsulfonylacetonitrile (PubChem CID 25186357) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-phenyl-2-pyridin-2-ylsulfonylacetonitrile.

Molecular Properties

Compound Name2-phenyl-2-pyridin-2-ylsulfonylacetonitrile
PubChem CID25186357
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name2-phenyl-2-pyridin-2-ylsulfonylacetonitrile
SMILESN#CC(c1ccccc1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C13H10N2O2S/c14-10-12(11-6-2-1-3-7-11)18(16,17)13-8-4-5-9-15-13/h1-9,12H
InChIKeyZTJFYLPMFXIVHZ-UHFFFAOYSA-N
XLogP2.12
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-cyano-1-phenylethyl)pyridine-2-sulfonamide
CID 122374418
2-(benzenesulfonyl)-2-(4-methylphenyl)acetonitrile
CID 10400985
2-(benzenesulfonyl)-2-(4-chlorophenyl)acetonitrile
CID 10424403
CID 175476137
CID 175476137
(2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile
CID 125491707
N-(2,2-diphenylethyl)pyridine-2-sulfonamide
CID 135085971
3-phenyl-3-pyridin-2-ylpropanenitrile
CID 10465646
phenyl(pyridin-2-yl)methanesulfonamide
CID 62085635
2-(1-fluoro-2-methylpropyl)sulfonylpyridine
CID 141385897
2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine
CID 22764678
2-[1-(4-bromophenyl)ethylsulfonyl]pyridine
CID 22764673
2-[(2R)-2-phenylbutyl]sulfonylpyridine
CID 24898450

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyridin-2-ylsulfonylacetonitrile?
The IUPAC name of 2-phenyl-2-pyridin-2-ylsulfonylacetonitrile (CID 25186357) is 2-phenyl-2-pyridin-2-ylsulfonylacetonitrile.
What is the SMILES notation for 2-phenyl-2-pyridin-2-ylsulfonylacetonitrile?
The canonical SMILES for 2-phenyl-2-pyridin-2-ylsulfonylacetonitrile is N#CC(c1ccccc1)S(=O)(=O)c1ccccn1.
What is the InChIKey of 2-phenyl-2-pyridin-2-ylsulfonylacetonitrile?
The InChIKey is ZTJFYLPMFXIVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c14-10-12(11-6-2-1-3-7-11)18(16,17)13-8-4-5-9-15-13/h1-9,12H.
What are the key properties of 2-phenyl-2-pyridin-2-ylsulfonylacetonitrile?
2-phenyl-2-pyridin-2-ylsulfonylacetonitrile has a molecular weight of 258.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyridin-2-ylsulfonylacetonitrile is sourced from PubChem (CID 25186357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).