2-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile

C15H12FNOS — CID 144654321

IUPAC2-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile
SMILESCc1ccc(S(=O)C(C#N)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FNOS/c1-11-2-8-14(9-3-11)19(18)15(10-17)12-4-6-13(16)7-5-12/h2-9,15H,1H3
InChIKeyFZDMQTNWRJELLQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.51
Rot. Bonds3

About 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile

2-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile (PubChem CID 144654321) has the molecular formula C15H12FNOS and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile
PubChem CID144654321
Molecular FormulaC15H12FNOS
Molecular Weight273.33 g/mol
Exact Mass273.06
IUPAC Name2-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile
SMILESCc1ccc(S(=O)C(C#N)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FNOS/c1-11-2-8-14(9-3-11)19(18)15(10-17)12-4-6-13(16)7-5-12/h2-9,15H,1H3
InChIKeyFZDMQTNWRJELLQ-UHFFFAOYSA-N
XLogP3.51
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile 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-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile?
The IUPAC name of 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile (CID 144654321) is 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile?
The canonical SMILES for 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile is Cc1ccc(S(=O)C(C#N)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile?
The InChIKey is FZDMQTNWRJELLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNOS/c1-11-2-8-14(9-3-11)19(18)15(10-17)12-4-6-13(16)7-5-12/h2-9,15H,1H3.
What are the key properties of 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile?
2-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile has a molecular weight of 273.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile is sourced from PubChem (CID 144654321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).