4-chloro-2-(2,4-difluorophenyl)sulfanylbenzonitrile

C13H6ClF2NS — CID 63538295

IUPAC4-chloro-2-(2,4-difluorophenyl)sulfanylbenzonitrile
SMILESN#Cc1ccc(Cl)cc1Sc1ccc(F)cc1F
InChIInChI=1S/C13H6ClF2NS/c14-9-2-1-8(7-17)13(5-9)18-12-4-3-10(15)6-11(12)16/h1-6H
InChIKeyVOBXLGIMKYJWJW-UHFFFAOYSA-N
MW281.71 g/mol
LogP4.64
Rot. Bonds2

About 4-chloro-2-(2,4-difluorophenyl)sulfanylbenzonitrile

4-chloro-2-(2,4-difluorophenyl)sulfanylbenzonitrile (PubChem CID 63538295) has the molecular formula C13H6ClF2NS and a molecular weight of 281.71 g/mol. Its IUPAC name is 4-chloro-2-(2,4-difluorophenyl)sulfanylbenzonitrile.

Molecular Properties

Compound Name4-chloro-2-(2,4-difluorophenyl)sulfanylbenzonitrile
PubChem CID63538295
Molecular FormulaC13H6ClF2NS
Molecular Weight281.71 g/mol
Exact Mass280.99
IUPAC Name4-chloro-2-(2,4-difluorophenyl)sulfanylbenzonitrile
SMILESN#Cc1ccc(Cl)cc1Sc1ccc(F)cc1F
InChIInChI=1S/C13H6ClF2NS/c14-9-2-1-8(7-17)13(5-9)18-12-4-3-10(15)6-11(12)16/h1-6H
InChIKeyVOBXLGIMKYJWJW-UHFFFAOYSA-N
XLogP4.64
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-(2,4-difluorophenyl)sulfanylbenzonitrile 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-chloro-2-methylsulfanylbenzonitrile
CID 19076710
4-chloro-2-(2,4-dimethylphenyl)sulfanylbenzonitrile
CID 63538754
5-chloro-2-(2,4-difluorophenyl)sulfanylaniline
CID 43345451
4-(2,5-dichlorophenyl)sulfanyl-3-fluorobenzonitrile
CID 43657535
2-(2-aminophenyl)sulfanyl-4-chlorobenzonitrile
CID 63082288
4-(2,4-difluorophenyl)sulfanyl-3-methylbenzonitrile
CID 54934140
2-[(2,5-dichlorophenyl)sulfanylmethyl]-4-fluorobenzonitrile
CID 114014497
2-(3-chlorophenyl)sulfanyl-5-fluorobenzonitrile
CID 55233121
4-fluoro-2-methylsulfanylbenzonitrile
CID 16753944
2-(4-chlorophenyl)sulfanylbenzene-1,4-dicarbonitrile
CID 10516242
2-(2,5-dichlorophenyl)sulfanylbenzonitrile
CID 29273025
2-(2,5-dichlorophenyl)sulfanyl-5-(trifluoromethyl)benzonitrile
CID 43331170

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-difluorophenyl)sulfanylbenzonitrile?
The IUPAC name of 4-chloro-2-(2,4-difluorophenyl)sulfanylbenzonitrile (CID 63538295) is 4-chloro-2-(2,4-difluorophenyl)sulfanylbenzonitrile.
What is the SMILES notation for 4-chloro-2-(2,4-difluorophenyl)sulfanylbenzonitrile?
The canonical SMILES for 4-chloro-2-(2,4-difluorophenyl)sulfanylbenzonitrile is N#Cc1ccc(Cl)cc1Sc1ccc(F)cc1F.
What is the InChIKey of 4-chloro-2-(2,4-difluorophenyl)sulfanylbenzonitrile?
The InChIKey is VOBXLGIMKYJWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF2NS/c14-9-2-1-8(7-17)13(5-9)18-12-4-3-10(15)6-11(12)16/h1-6H.
What are the key properties of 4-chloro-2-(2,4-difluorophenyl)sulfanylbenzonitrile?
4-chloro-2-(2,4-difluorophenyl)sulfanylbenzonitrile has a molecular weight of 281.71 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-difluorophenyl)sulfanylbenzonitrile is sourced from PubChem (CID 63538295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).