3-(2-fluorophenyl)sulfonyl-3-phenylpropanenitrile

C15H12FNO2S — CID 64690363

IUPAC3-(2-fluorophenyl)sulfonyl-3-phenylpropanenitrile
SMILESN#CCC(c1ccccc1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H12FNO2S/c16-13-8-4-5-9-15(13)20(18,19)14(10-11-17)12-6-2-1-3-7-12/h1-9,14H,10H2
InChIKeyJBPJWBCUKHGHEY-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.25
Rot. Bonds4

About 3-(2-fluorophenyl)sulfonyl-3-phenylpropanenitrile

3-(2-fluorophenyl)sulfonyl-3-phenylpropanenitrile (PubChem CID 64690363) has the molecular formula C15H12FNO2S and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfonyl-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfonyl-3-phenylpropanenitrile
PubChem CID64690363
Molecular FormulaC15H12FNO2S
Molecular Weight289.33 g/mol
Exact Mass289.06
IUPAC Name3-(2-fluorophenyl)sulfonyl-3-phenylpropanenitrile
SMILESN#CCC(c1ccccc1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H12FNO2S/c16-13-8-4-5-9-15(13)20(18,19)14(10-11-17)12-6-2-1-3-7-12/h1-9,14H,10H2
InChIKeyJBPJWBCUKHGHEY-UHFFFAOYSA-N
XLogP3.25
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-fluorophenyl)sulfonyl-3-phenylpropanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-methylphenyl)sulfonyl-3-phenylpropanenitrile
CID 64691837
3-(oxan-4-ylsulfonyl)-3-phenylpropanenitrile
CID 64692674
benzene;2-fluorobenzenesulfonic acid
CID 174946544
2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 18192076
2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid
CID 103224424
2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103833619
3,4-diphenylbutanenitrile
CID 57019380
cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849356
4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine
CID 64703577
2-fluorobenzenesulfonyl iodide
CID 23452806
[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium
CID 9161761
4-(2-methylphenyl)sulfonyl-4-phenylbutan-2-one
CID 5340250

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfonyl-3-phenylpropanenitrile?
The IUPAC name of 3-(2-fluorophenyl)sulfonyl-3-phenylpropanenitrile (CID 64690363) is 3-(2-fluorophenyl)sulfonyl-3-phenylpropanenitrile.
What is the SMILES notation for 3-(2-fluorophenyl)sulfonyl-3-phenylpropanenitrile?
The canonical SMILES for 3-(2-fluorophenyl)sulfonyl-3-phenylpropanenitrile is N#CCC(c1ccccc1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)sulfonyl-3-phenylpropanenitrile?
The InChIKey is JBPJWBCUKHGHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2S/c16-13-8-4-5-9-15(13)20(18,19)14(10-11-17)12-6-2-1-3-7-12/h1-9,14H,10H2.
What are the key properties of 3-(2-fluorophenyl)sulfonyl-3-phenylpropanenitrile?
3-(2-fluorophenyl)sulfonyl-3-phenylpropanenitrile has a molecular weight of 289.33 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfonyl-3-phenylpropanenitrile is sourced from PubChem (CID 64690363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).