2-(6-fluoroquinolin-4-yl)sulfanyl-2-methyl-N-methylsulfonylpropanamide

C14H15FN2O3S2 — CID 171429084

IUPAC2-(6-fluoroquinolin-4-yl)sulfanyl-2-methyl-N-methylsulfonylpropanamide
SMILESCC(C)(Sc1ccnc2ccc(F)cc12)C(=O)NS(C)(=O)=O
InChIInChI=1S/C14H15FN2O3S2/c1-14(2,13(18)17-22(3,19)20)21-12-6-7-16-11-5-4-9(15)8-10(11)12/h4-8H,1-3H3,(H,17,18)
InChIKeyJACZWURFWYOFBH-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.32
Rot. Bonds4

About 2-(6-fluoroquinolin-4-yl)sulfanyl-2-methyl-N-methylsulfonylpropanamide

2-(6-fluoroquinolin-4-yl)sulfanyl-2-methyl-N-methylsulfonylpropanamide (PubChem CID 171429084) has the molecular formula C14H15FN2O3S2 and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(6-fluoroquinolin-4-yl)sulfanyl-2-methyl-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name2-(6-fluoroquinolin-4-yl)sulfanyl-2-methyl-N-methylsulfonylpropanamide
PubChem CID171429084
Molecular FormulaC14H15FN2O3S2
Molecular Weight342.42 g/mol
Exact Mass342.05
IUPAC Name2-(6-fluoroquinolin-4-yl)sulfanyl-2-methyl-N-methylsulfonylpropanamide
SMILESCC(C)(Sc1ccnc2ccc(F)cc12)C(=O)NS(C)(=O)=O
InChIInChI=1S/C14H15FN2O3S2/c1-14(2,13(18)17-22(3,19)20)21-12-6-7-16-11-5-4-9(15)8-10(11)12/h4-8H,1-3H3,(H,17,18)
InChIKeyJACZWURFWYOFBH-UHFFFAOYSA-N
XLogP2.32
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-fluoroquinolin-4-yl)sulfanyl-2-methyl-N-methylsulfonylpropanamide 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-(6-fluoroquinolin-4-yl)sulfanyl-2-methyl-N-methylsulfonylpropanamide?
The IUPAC name of 2-(6-fluoroquinolin-4-yl)sulfanyl-2-methyl-N-methylsulfonylpropanamide (CID 171429084) is 2-(6-fluoroquinolin-4-yl)sulfanyl-2-methyl-N-methylsulfonylpropanamide.
What is the SMILES notation for 2-(6-fluoroquinolin-4-yl)sulfanyl-2-methyl-N-methylsulfonylpropanamide?
The canonical SMILES for 2-(6-fluoroquinolin-4-yl)sulfanyl-2-methyl-N-methylsulfonylpropanamide is CC(C)(Sc1ccnc2ccc(F)cc12)C(=O)NS(C)(=O)=O.
What is the InChIKey of 2-(6-fluoroquinolin-4-yl)sulfanyl-2-methyl-N-methylsulfonylpropanamide?
The InChIKey is JACZWURFWYOFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S2/c1-14(2,13(18)17-22(3,19)20)21-12-6-7-16-11-5-4-9(15)8-10(11)12/h4-8H,1-3H3,(H,17,18).
What are the key properties of 2-(6-fluoroquinolin-4-yl)sulfanyl-2-methyl-N-methylsulfonylpropanamide?
2-(6-fluoroquinolin-4-yl)sulfanyl-2-methyl-N-methylsulfonylpropanamide has a molecular weight of 342.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroquinolin-4-yl)sulfanyl-2-methyl-N-methylsulfonylpropanamide is sourced from PubChem (CID 171429084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).