2-fluoro-5-(2-methylsulfinylphenyl)aniline

C13H12FNOS — CID 171455174

IUPAC2-fluoro-5-(2-methylsulfinylphenyl)aniline
SMILESCS(=O)c1ccccc1-c1ccc(F)c(N)c1
InChIInChI=1S/C13H12FNOS/c1-17(16)13-5-3-2-4-10(13)9-6-7-11(14)12(15)8-9/h2-8H,15H2,1H3
InChIKeyATCAUUFHWDONPR-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.81
Rot. Bonds2

About 2-fluoro-5-(2-methylsulfinylphenyl)aniline

2-fluoro-5-(2-methylsulfinylphenyl)aniline (PubChem CID 171455174) has the molecular formula C13H12FNOS and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-fluoro-5-(2-methylsulfinylphenyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(2-methylsulfinylphenyl)aniline
PubChem CID171455174
Molecular FormulaC13H12FNOS
Molecular Weight249.31 g/mol
Exact Mass249.06
IUPAC Name2-fluoro-5-(2-methylsulfinylphenyl)aniline
SMILESCS(=O)c1ccccc1-c1ccc(F)c(N)c1
InChIInChI=1S/C13H12FNOS/c1-17(16)13-5-3-2-4-10(13)9-6-7-11(14)12(15)8-9/h2-8H,15H2,1H3
InChIKeyATCAUUFHWDONPR-UHFFFAOYSA-N
XLogP2.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-fluoro-5-(2-methylsulfinylphenyl)aniline 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-fluoro-5-(2-methylsulfinylphenyl)aniline?
The IUPAC name of 2-fluoro-5-(2-methylsulfinylphenyl)aniline (CID 171455174) is 2-fluoro-5-(2-methylsulfinylphenyl)aniline.
What is the SMILES notation for 2-fluoro-5-(2-methylsulfinylphenyl)aniline?
The canonical SMILES for 2-fluoro-5-(2-methylsulfinylphenyl)aniline is CS(=O)c1ccccc1-c1ccc(F)c(N)c1.
What is the InChIKey of 2-fluoro-5-(2-methylsulfinylphenyl)aniline?
The InChIKey is ATCAUUFHWDONPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNOS/c1-17(16)13-5-3-2-4-10(13)9-6-7-11(14)12(15)8-9/h2-8H,15H2,1H3.
What are the key properties of 2-fluoro-5-(2-methylsulfinylphenyl)aniline?
2-fluoro-5-(2-methylsulfinylphenyl)aniline has a molecular weight of 249.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-methylsulfinylphenyl)aniline is sourced from PubChem (CID 171455174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).