3-(3-fluorophenyl)sulfonylquinolin-8-amine

C15H11FN2O2S — CID 67314085

IUPAC3-(3-fluorophenyl)sulfonylquinolin-8-amine
SMILESNc1cccc2cc(S(=O)(=O)c3cccc(F)c3)cnc12
InChIInChI=1S/C15H11FN2O2S/c16-11-4-2-5-12(8-11)21(19,20)13-7-10-3-1-6-14(17)15(10)18-9-13/h1-9H,17H2
InChIKeyHVSBZKOILQGHAB-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.79
Rot. Bonds2

About 3-(3-fluorophenyl)sulfonylquinolin-8-amine

3-(3-fluorophenyl)sulfonylquinolin-8-amine (PubChem CID 67314085) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(3-fluorophenyl)sulfonylquinolin-8-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)sulfonylquinolin-8-amine
PubChem CID67314085
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name3-(3-fluorophenyl)sulfonylquinolin-8-amine
SMILESNc1cccc2cc(S(=O)(=O)c3cccc(F)c3)cnc12
InChIInChI=1S/C15H11FN2O2S/c16-11-4-2-5-12(8-11)21(19,20)13-7-10-3-1-6-14(17)15(10)18-9-13/h1-9H,17H2
InChIKeyHVSBZKOILQGHAB-UHFFFAOYSA-N
XLogP2.79
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-fluorophenyl)sulfonylquinolin-8-amine 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-(3-fluorophenyl)sulfonylquinolin-8-amine?
The IUPAC name of 3-(3-fluorophenyl)sulfonylquinolin-8-amine (CID 67314085) is 3-(3-fluorophenyl)sulfonylquinolin-8-amine.
What is the SMILES notation for 3-(3-fluorophenyl)sulfonylquinolin-8-amine?
The canonical SMILES for 3-(3-fluorophenyl)sulfonylquinolin-8-amine is Nc1cccc2cc(S(=O)(=O)c3cccc(F)c3)cnc12.
What is the InChIKey of 3-(3-fluorophenyl)sulfonylquinolin-8-amine?
The InChIKey is HVSBZKOILQGHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-11-4-2-5-12(8-11)21(19,20)13-7-10-3-1-6-14(17)15(10)18-9-13/h1-9H,17H2.
What are the key properties of 3-(3-fluorophenyl)sulfonylquinolin-8-amine?
3-(3-fluorophenyl)sulfonylquinolin-8-amine has a molecular weight of 302.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)sulfonylquinolin-8-amine is sourced from PubChem (CID 67314085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).