4-(2-chlorophenyl)-2-methylsulfonylthiophene-3-carbonitrile

C12H8ClNO2S2 — CID 2819752

IUPAC4-(2-chlorophenyl)-2-methylsulfonylthiophene-3-carbonitrile
SMILESCS(=O)(=O)c1scc(-c2ccccc2Cl)c1C#N
InChIInChI=1S/C12H8ClNO2S2/c1-18(15,16)12-9(6-14)10(7-17-12)8-4-2-3-5-11(8)13/h2-5,7H,1H3
InChIKeyYCBAZUSXHMKMIG-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.34
Rot. Bonds2

About 4-(2-chlorophenyl)-2-methylsulfonylthiophene-3-carbonitrile

4-(2-chlorophenyl)-2-methylsulfonylthiophene-3-carbonitrile (PubChem CID 2819752) has the molecular formula C12H8ClNO2S2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-methylsulfonylthiophene-3-carbonitrile.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-methylsulfonylthiophene-3-carbonitrile
PubChem CID2819752
Molecular FormulaC12H8ClNO2S2
Molecular Weight297.79 g/mol
Exact Mass296.97
IUPAC Name4-(2-chlorophenyl)-2-methylsulfonylthiophene-3-carbonitrile
SMILESCS(=O)(=O)c1scc(-c2ccccc2Cl)c1C#N
InChIInChI=1S/C12H8ClNO2S2/c1-18(15,16)12-9(6-14)10(7-17-12)8-4-2-3-5-11(8)13/h2-5,7H,1H3
InChIKeyYCBAZUSXHMKMIG-UHFFFAOYSA-N
XLogP3.34
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-chlorophenyl)-2-methylsulfonylthiophene-3-carbonitrile 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-(4-Chlorophenyl)-2-(ethylsulfinyl)thiophene-3-carbonitrile
CID 2819709
3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)-
CID 164008
4-(4-Chlorophenyl)-2-(isopropylsulfanyl)-3-thiophenecarbonitrile
CID 619735
5-Chloro-4-(4-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile
CID 2819790
4-(4-Chlorophenyl)-2-methylsulfinylthiophene-3-carbonitrile
CID 2819736
4-(4-Fluorophenyl)-2-methylsulfonylthiophene-3-carbonitrile
CID 44392700
3-(2,6-Dichlorophenyl)-2-thiophen-2-ylsulfonylprop-2-enenitrile
CID 2819619
4-(4-Chlorophenyl)-2-methylsulfonylthiophene-3-carbonitrile
CID 2819533
Thiophene-3-carbonitrile, 4-(3-chlorophenyl)-2-methylthio-
CID 622189
3-[(4-Chlorophenyl)sulfonylmethyl]thiophene-2-carbonitrile
CID 2739603
4-(3,5-Dichlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile
CID 2819782
4-(4-Chlorophenyl)-2-cyclohexylsulfinylthiophene-3-carbonitrile
CID 2819819

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-methylsulfonylthiophene-3-carbonitrile?
The IUPAC name of 4-(2-chlorophenyl)-2-methylsulfonylthiophene-3-carbonitrile (CID 2819752) is 4-(2-chlorophenyl)-2-methylsulfonylthiophene-3-carbonitrile.
What is the SMILES notation for 4-(2-chlorophenyl)-2-methylsulfonylthiophene-3-carbonitrile?
The canonical SMILES for 4-(2-chlorophenyl)-2-methylsulfonylthiophene-3-carbonitrile is CS(=O)(=O)c1scc(-c2ccccc2Cl)c1C#N.
What is the InChIKey of 4-(2-chlorophenyl)-2-methylsulfonylthiophene-3-carbonitrile?
The InChIKey is YCBAZUSXHMKMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO2S2/c1-18(15,16)12-9(6-14)10(7-17-12)8-4-2-3-5-11(8)13/h2-5,7H,1H3.
What are the key properties of 4-(2-chlorophenyl)-2-methylsulfonylthiophene-3-carbonitrile?
4-(2-chlorophenyl)-2-methylsulfonylthiophene-3-carbonitrile has a molecular weight of 297.79 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-methylsulfonylthiophene-3-carbonitrile is sourced from PubChem (CID 2819752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).