3,5-difluoro-4-quinolin-4-ylsulfanylaniline

C15H10F2N2S — CID 61371227

IUPAC3,5-difluoro-4-quinolin-4-ylsulfanylaniline
SMILESNc1cc(F)c(Sc2ccnc3ccccc23)c(F)c1
InChIInChI=1S/C15H10F2N2S/c16-11-7-9(18)8-12(17)15(11)20-14-5-6-19-13-4-2-1-3-10(13)14/h1-8H,18H2
InChIKeyQWZOXFSUIWZLDW-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.25
Rot. Bonds2

About 3,5-difluoro-4-quinolin-4-ylsulfanylaniline

3,5-difluoro-4-quinolin-4-ylsulfanylaniline (PubChem CID 61371227) has the molecular formula C15H10F2N2S and a molecular weight of 288.32 g/mol. Its IUPAC name is 3,5-difluoro-4-quinolin-4-ylsulfanylaniline.

Molecular Properties

Compound Name3,5-difluoro-4-quinolin-4-ylsulfanylaniline
PubChem CID61371227
Molecular FormulaC15H10F2N2S
Molecular Weight288.32 g/mol
Exact Mass288.05
IUPAC Name3,5-difluoro-4-quinolin-4-ylsulfanylaniline
SMILESNc1cc(F)c(Sc2ccnc3ccccc23)c(F)c1
InChIInChI=1S/C15H10F2N2S/c16-11-7-9(18)8-12(17)15(11)20-14-5-6-19-13-4-2-1-3-10(13)14/h1-8H,18H2
InChIKeyQWZOXFSUIWZLDW-UHFFFAOYSA-N
XLogP4.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-difluoro-4-quinolin-4-ylsulfanylaniline 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 3,5-difluoro-4-quinolin-4-ylsulfanylaniline?
The IUPAC name of 3,5-difluoro-4-quinolin-4-ylsulfanylaniline (CID 61371227) is 3,5-difluoro-4-quinolin-4-ylsulfanylaniline.
What is the SMILES notation for 3,5-difluoro-4-quinolin-4-ylsulfanylaniline?
The canonical SMILES for 3,5-difluoro-4-quinolin-4-ylsulfanylaniline is Nc1cc(F)c(Sc2ccnc3ccccc23)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-quinolin-4-ylsulfanylaniline?
The InChIKey is QWZOXFSUIWZLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2S/c16-11-7-9(18)8-12(17)15(11)20-14-5-6-19-13-4-2-1-3-10(13)14/h1-8H,18H2.
What are the key properties of 3,5-difluoro-4-quinolin-4-ylsulfanylaniline?
3,5-difluoro-4-quinolin-4-ylsulfanylaniline has a molecular weight of 288.32 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-quinolin-4-ylsulfanylaniline is sourced from PubChem (CID 61371227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).