3-(2,6-dichlorophenyl)sulfonyl-2-phenylpropanenitrile

C15H11Cl2NO2S — CID 64692028

IUPAC3-(2,6-dichlorophenyl)sulfonyl-2-phenylpropanenitrile
SMILESN#CC(CS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H11Cl2NO2S/c16-13-7-4-8-14(17)15(13)21(19,20)10-12(9-18)11-5-2-1-3-6-11/h1-8,12H,10H2
InChIKeyHSFVUVPDXQHAJO-UHFFFAOYSA-N
MW340.23 g/mol
LogP4.07
Rot. Bonds4

About 3-(2,6-dichlorophenyl)sulfonyl-2-phenylpropanenitrile

3-(2,6-dichlorophenyl)sulfonyl-2-phenylpropanenitrile (PubChem CID 64692028) has the molecular formula C15H11Cl2NO2S and a molecular weight of 340.23 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)sulfonyl-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)sulfonyl-2-phenylpropanenitrile
PubChem CID64692028
Molecular FormulaC15H11Cl2NO2S
Molecular Weight340.23 g/mol
Exact Mass338.99
IUPAC Name3-(2,6-dichlorophenyl)sulfonyl-2-phenylpropanenitrile
SMILESN#CC(CS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H11Cl2NO2S/c16-13-7-4-8-14(17)15(13)21(19,20)10-12(9-18)11-5-2-1-3-6-11/h1-8,12H,10H2
InChIKeyHSFVUVPDXQHAJO-UHFFFAOYSA-N
XLogP4.07
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,6-dichlorophenyl)sulfonyl-2-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

2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
CID 64674939
3-(2,6-dichlorophenyl)sulfinyl-2-phenylpropanenitrile
CID 115477752
2-(2,6-dichlorophenyl)sulfonylacetonitrile
CID 610700
3-(2-chlorophenyl)-2-phenylpropanenitrile
CID 82084814
1-ethylsulfonylethane;2-phenylbutanenitrile
CID 174853089
1,3-dichloro-2-(2,2-dimethoxyethylsulfonyl)benzene
CID 66224121
2-phenylpent-4-ynenitrile
CID 121216433
3-(3-chloro-2-fluoroanilino)-2-phenylpropanenitrile
CID 64537008
N-benzhydryl-2,6-dichlorobenzenesulfonamide
CID 3332711
4-cyano-4-phenylbutane-1-sulfonate
CID 131716210
3-hydroxy-2-phenylpropanenitrile
CID 11008065
ethane;2-phenylbutanenitrile
CID 91343198

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)sulfonyl-2-phenylpropanenitrile?
The IUPAC name of 3-(2,6-dichlorophenyl)sulfonyl-2-phenylpropanenitrile (CID 64692028) is 3-(2,6-dichlorophenyl)sulfonyl-2-phenylpropanenitrile.
What is the SMILES notation for 3-(2,6-dichlorophenyl)sulfonyl-2-phenylpropanenitrile?
The canonical SMILES for 3-(2,6-dichlorophenyl)sulfonyl-2-phenylpropanenitrile is N#CC(CS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)sulfonyl-2-phenylpropanenitrile?
The InChIKey is HSFVUVPDXQHAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2S/c16-13-7-4-8-14(17)15(13)21(19,20)10-12(9-18)11-5-2-1-3-6-11/h1-8,12H,10H2.
What are the key properties of 3-(2,6-dichlorophenyl)sulfonyl-2-phenylpropanenitrile?
3-(2,6-dichlorophenyl)sulfonyl-2-phenylpropanenitrile has a molecular weight of 340.23 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)sulfonyl-2-phenylpropanenitrile is sourced from PubChem (CID 64692028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).