2-(4-cyano-2-fluorophenyl)sulfanylacetamide

C9H7FN2OS — CID 130160378

IUPAC2-(4-cyano-2-fluorophenyl)sulfanylacetamide
SMILESN#Cc1ccc(SCC(N)=O)c(F)c1
InChIInChI=1S/C9H7FN2OS/c10-7-3-6(4-11)1-2-8(7)14-5-9(12)13/h1-3H,5H2,(H2,12,13)
InChIKeyOFHICQLRAANCDM-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.27
Rot. Bonds3

About 2-(4-cyano-2-fluorophenyl)sulfanylacetamide

2-(4-cyano-2-fluorophenyl)sulfanylacetamide (PubChem CID 130160378) has the molecular formula C9H7FN2OS and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4-cyano-2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound Name2-(4-cyano-2-fluorophenyl)sulfanylacetamide
PubChem CID130160378
Molecular FormulaC9H7FN2OS
Molecular Weight210.23 g/mol
Exact Mass210.03
IUPAC Name2-(4-cyano-2-fluorophenyl)sulfanylacetamide
SMILESN#Cc1ccc(SCC(N)=O)c(F)c1
InChIInChI=1S/C9H7FN2OS/c10-7-3-6(4-11)1-2-8(7)14-5-9(12)13/h1-3H,5H2,(H2,12,13)
InChIKeyOFHICQLRAANCDM-UHFFFAOYSA-N
XLogP1.27
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-cyano-2-fluorophenyl)sulfanylacetamide 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-cyano-2-fluorophenyl)sulfanylacetamide?
The IUPAC name of 2-(4-cyano-2-fluorophenyl)sulfanylacetamide (CID 130160378) is 2-(4-cyano-2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for 2-(4-cyano-2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for 2-(4-cyano-2-fluorophenyl)sulfanylacetamide is N#Cc1ccc(SCC(N)=O)c(F)c1.
What is the InChIKey of 2-(4-cyano-2-fluorophenyl)sulfanylacetamide?
The InChIKey is OFHICQLRAANCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2OS/c10-7-3-6(4-11)1-2-8(7)14-5-9(12)13/h1-3H,5H2,(H2,12,13).
What are the key properties of 2-(4-cyano-2-fluorophenyl)sulfanylacetamide?
2-(4-cyano-2-fluorophenyl)sulfanylacetamide has a molecular weight of 210.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 130160378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).