[6-fluoro-4-(4-propan-2-ylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone

C24H25FN2O3S — CID 50757620

IUPAC[6-fluoro-4-(4-propan-2-ylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone
SMILESCC(C)c1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1
InChIInChI=1S/C24H25FN2O3S/c1-16(2)17-6-9-19(10-7-17)31(29,30)23-20-14-18(25)8-11-22(20)26-15-21(23)24(28)27-12-4-3-5-13-27/h6-11,14-16H,3-5,12-13H2,1-2H3
InChIKeyUJANMLJSNRZWLV-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.96
Rot. Bonds4

About [6-fluoro-4-(4-propan-2-ylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone

[6-fluoro-4-(4-propan-2-ylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone (PubChem CID 50757620) has the molecular formula C24H25FN2O3S and a molecular weight of 440.54 g/mol. Its IUPAC name is [6-fluoro-4-(4-propan-2-ylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-fluoro-4-(4-propan-2-ylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone
PubChem CID50757620
Molecular FormulaC24H25FN2O3S
Molecular Weight440.54 g/mol
Exact Mass440.16
IUPAC Name[6-fluoro-4-(4-propan-2-ylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone
SMILESCC(C)c1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1
InChIInChI=1S/C24H25FN2O3S/c1-16(2)17-6-9-19(10-7-17)31(29,30)23-20-14-18(25)8-11-22(20)26-15-21(23)24(28)27-12-4-3-5-13-27/h6-11,14-16H,3-5,12-13H2,1-2H3
InChIKeyUJANMLJSNRZWLV-UHFFFAOYSA-N
XLogP4.96
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-fluoro-4-(4-propan-2-ylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone 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 [6-fluoro-4-(4-propan-2-ylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-fluoro-4-(4-propan-2-ylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone (CID 50757620) is [6-fluoro-4-(4-propan-2-ylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-fluoro-4-(4-propan-2-ylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-fluoro-4-(4-propan-2-ylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone is CC(C)c1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1.
What is the InChIKey of [6-fluoro-4-(4-propan-2-ylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is UJANMLJSNRZWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3S/c1-16(2)17-6-9-19(10-7-17)31(29,30)23-20-14-18(25)8-11-22(20)26-15-21(23)24(28)27-12-4-3-5-13-27/h6-11,14-16H,3-5,12-13H2,1-2H3.
What are the key properties of [6-fluoro-4-(4-propan-2-ylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone?
[6-fluoro-4-(4-propan-2-ylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 440.54 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-4-(4-propan-2-ylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 50757620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).