2-(5-methylsulfonylthiophen-2-yl)benzonitrile

C12H9NO2S2 — CID 53466815

IUPAC2-(5-methylsulfonylthiophen-2-yl)benzonitrile
SMILESCS(=O)(=O)c1ccc(-c2ccccc2C#N)s1
InChIInChI=1S/C12H9NO2S2/c1-17(14,15)12-7-6-11(16-12)10-5-3-2-4-9(10)8-13/h2-7H,1H3
InChIKeyGXKRMDHITJSZMJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.69
Rot. Bonds2

About 2-(5-methylsulfonylthiophen-2-yl)benzonitrile

2-(5-methylsulfonylthiophen-2-yl)benzonitrile (PubChem CID 53466815) has the molecular formula C12H9NO2S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(5-methylsulfonylthiophen-2-yl)benzonitrile.

Molecular Properties

Compound Name2-(5-methylsulfonylthiophen-2-yl)benzonitrile
PubChem CID53466815
Molecular FormulaC12H9NO2S2
Molecular Weight263.34 g/mol
Exact Mass263.01
IUPAC Name2-(5-methylsulfonylthiophen-2-yl)benzonitrile
SMILESCS(=O)(=O)c1ccc(-c2ccccc2C#N)s1
InChIInChI=1S/C12H9NO2S2/c1-17(14,15)12-7-6-11(16-12)10-5-3-2-4-9(10)8-13/h2-7H,1H3
InChIKeyGXKRMDHITJSZMJ-UHFFFAOYSA-N
XLogP2.69
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-methylsulfonylthiophen-2-yl)benzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylsulfonylthiophen-2-yl)benzonitrile?
The IUPAC name of 2-(5-methylsulfonylthiophen-2-yl)benzonitrile (CID 53466815) is 2-(5-methylsulfonylthiophen-2-yl)benzonitrile.
What is the SMILES notation for 2-(5-methylsulfonylthiophen-2-yl)benzonitrile?
The canonical SMILES for 2-(5-methylsulfonylthiophen-2-yl)benzonitrile is CS(=O)(=O)c1ccc(-c2ccccc2C#N)s1.
What is the InChIKey of 2-(5-methylsulfonylthiophen-2-yl)benzonitrile?
The InChIKey is GXKRMDHITJSZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2S2/c1-17(14,15)12-7-6-11(16-12)10-5-3-2-4-9(10)8-13/h2-7H,1H3.
What are the key properties of 2-(5-methylsulfonylthiophen-2-yl)benzonitrile?
2-(5-methylsulfonylthiophen-2-yl)benzonitrile has a molecular weight of 263.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylsulfonylthiophen-2-yl)benzonitrile is sourced from PubChem (CID 53466815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).