4-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]benzonitrile

C15H10FNO2S — CID 126557592

IUPAC4-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C(\F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H10FNO2S/c16-15(10-12-6-8-13(11-17)9-7-12)20(18,19)14-4-2-1-3-5-14/h1-10H/b15-10+
InChIKeyDWXRNGVXPDPUOR-XNTDXEJSSA-N
MW287.32 g/mol
LogP3.30
Rot. Bonds3

About 4-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]benzonitrile

4-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]benzonitrile (PubChem CID 126557592) has the molecular formula C15H10FNO2S and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]benzonitrile
PubChem CID126557592
Molecular FormulaC15H10FNO2S
Molecular Weight287.32 g/mol
Exact Mass287.04
IUPAC Name4-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C(\F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H10FNO2S/c16-15(10-12-6-8-13(11-17)9-7-12)20(18,19)14-4-2-1-3-5-14/h1-10H/b15-10+
InChIKeyDWXRNGVXPDPUOR-XNTDXEJSSA-N
XLogP3.30
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]benzonitrile 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

4-(Methylsulfonyl)benzonitrile
CID 519981
4-(Benzenesulfonylmethyl)benzonitrile
CID 9548464
(Z)-2-(benzenesulfonyl)-3-(4-fluorophenyl)prop-2-enenitrile
CID 1669174
4,4'-Sulfonylbis(benzonitrile)
CID 22963
2-(4-(Methylsulfonyl)phenyl)acetonitrile
CID 2760950
4-(Trifluoromethylsulphonyl)benzonitrile
CID 2777824
4-[(4-Methylphenyl)sulfonylsulfanylmethyl]benzonitrile
CID 164612467
2-[(3,5-Dimethylphenyl)sulfonyl]-6-fluorobenzenecarbonitrile
CID 486357
2-(4-Methylphenyl)-6-phenyl-4H-thiopyran-4-ylidene-propanedinitril-1,1-dioxide
CID 10089778
4-Fluorophenylstyryl sulfone
CID 5382417
4-[2-(4-Methanesulfonyl-phenyl)-cyclopent-1-enyl]-benzonitrile
CID 10448879
1-[(E)-2-(benzenesulfonyl)ethenyl]-4-(trifluoromethyl)benzene
CID 16037768

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]benzonitrile (CID 126557592) is 4-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]benzonitrile is N#Cc1ccc(/C=C(\F)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]benzonitrile?
The InChIKey is DWXRNGVXPDPUOR-XNTDXEJSSA-N. The full InChI is InChI=1S/C15H10FNO2S/c16-15(10-12-6-8-13(11-17)9-7-12)20(18,19)14-4-2-1-3-5-14/h1-10H/b15-10+.
What are the key properties of 4-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]benzonitrile?
4-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]benzonitrile has a molecular weight of 287.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]benzonitrile is sourced from PubChem (CID 126557592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).