2-(2-methylsulfonylethenyl)benzonitrile

C10H9NO2S — CID 71427434

IUPAC2-(2-methylsulfonylethenyl)benzonitrile
SMILESCS(=O)(=O)C=Cc1ccccc1C#N
InChIInChI=1S/C10H9NO2S/c1-14(12,13)7-6-9-4-2-3-5-10(9)8-11/h2-7H,1H3
InChIKeySXPPTCALQYDMPH-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.57
Rot. Bonds2

About 2-(2-methylsulfonylethenyl)benzonitrile

2-(2-methylsulfonylethenyl)benzonitrile (PubChem CID 71427434) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(2-methylsulfonylethenyl)benzonitrile.

Molecular Properties

Compound Name2-(2-methylsulfonylethenyl)benzonitrile
PubChem CID71427434
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name2-(2-methylsulfonylethenyl)benzonitrile
SMILESCS(=O)(=O)C=Cc1ccccc1C#N
InChIInChI=1S/C10H9NO2S/c1-14(12,13)7-6-9-4-2-3-5-10(9)8-11/h2-7H,1H3
InChIKeySXPPTCALQYDMPH-UHFFFAOYSA-N
XLogP1.57
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylsulfonylethenyl)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

2-[(E)-3-oxoprop-1-enyl]benzonitrile
CID 19823346
2-[(E)-2-cyanoethenyl]benzonitrile
CID 12698510
2-[2-(dimethylamino)ethenyl]benzonitrile
CID 54125819
1-methoxy-2-(2-methylsulfonylethenyl)benzene
CID 71427432
2-(4-methylpent-1-enyl)benzonitrile
CID 174854494
4-methoxy-3-[(E)-2-methylsulfonylethenyl]benzonitrile
CID 154720947
2-[2-(3-methyl-1,2,4-triazol-1-yl)ethenyl]benzonitrile
CID 172864514
ethyl 4-(2-cyanophenyl)but-3-enoate
CID 170795854
methyl (E)-3-(2-cyanophenyl)-2-phenylprop-2-enoate
CID 102379772
2-methylpropyl (E)-3-(2-cyanophenyl)prop-2-enoate
CID 175176691
2-(2-naphthalen-2-ylethenyl)benzonitrile
CID 54316772
2-(2-cyanophenyl)sulfonylbenzonitrile
CID 18934243

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethenyl)benzonitrile?
The IUPAC name of 2-(2-methylsulfonylethenyl)benzonitrile (CID 71427434) is 2-(2-methylsulfonylethenyl)benzonitrile.
What is the SMILES notation for 2-(2-methylsulfonylethenyl)benzonitrile?
The canonical SMILES for 2-(2-methylsulfonylethenyl)benzonitrile is CS(=O)(=O)C=Cc1ccccc1C#N.
What is the InChIKey of 2-(2-methylsulfonylethenyl)benzonitrile?
The InChIKey is SXPPTCALQYDMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-14(12,13)7-6-9-4-2-3-5-10(9)8-11/h2-7H,1H3.
What are the key properties of 2-(2-methylsulfonylethenyl)benzonitrile?
2-(2-methylsulfonylethenyl)benzonitrile has a molecular weight of 207.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethenyl)benzonitrile is sourced from PubChem (CID 71427434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).