4-fluoro-N-[1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)ethyl]benzenesulfonamide

C20H23FN2O3S — CID 122456076

IUPAC4-fluoro-N-[1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)ethyl]benzenesulfonamide
SMILESCCCN1C(=O)CCc2cc(C(C)NS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C20H23FN2O3S/c1-3-12-23-19-10-4-15(13-16(19)5-11-20(23)24)14(2)22-27(25,26)18-8-6-17(21)7-9-18/h4,6-10,13-14,22H,3,5,11-12H2,1-2H3
InChIKeyVXKKRINQWTUOHZ-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.55
Rot. Bonds6

About 4-fluoro-N-[1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)ethyl]benzenesulfonamide

4-fluoro-N-[1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)ethyl]benzenesulfonamide (PubChem CID 122456076) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-fluoro-N-[1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)ethyl]benzenesulfonamide
PubChem CID122456076
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name4-fluoro-N-[1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)ethyl]benzenesulfonamide
SMILESCCCN1C(=O)CCc2cc(C(C)NS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C20H23FN2O3S/c1-3-12-23-19-10-4-15(13-16(19)5-11-20(23)24)14(2)22-27(25,26)18-8-6-17(21)7-9-18/h4,6-10,13-14,22H,3,5,11-12H2,1-2H3
InChIKeyVXKKRINQWTUOHZ-UHFFFAOYSA-N
XLogP3.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)ethyl]benzenesulfonamide with MolForge

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Related Compounds

1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide
CID 119055614
N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-4-fluorobenzenesulfonamide
CID 138673288
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propylbenzenesulfonamide
CID 20933642
3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 167951208
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide
CID 16927341
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92681306
1-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 16927317
1-methyl-6-[1-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 63105201
(2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 97109094
4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927461
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)ethyl]benzenesulfonamide (CID 122456076) is 4-fluoro-N-[1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)ethyl]benzenesulfonamide is CCCN1C(=O)CCc2cc(C(C)NS(=O)(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of 4-fluoro-N-[1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)ethyl]benzenesulfonamide?
The InChIKey is VXKKRINQWTUOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-3-12-23-19-10-4-15(13-16(19)5-11-20(23)24)14(2)22-27(25,26)18-8-6-17(21)7-9-18/h4,6-10,13-14,22H,3,5,11-12H2,1-2H3.
What are the key properties of 4-fluoro-N-[1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)ethyl]benzenesulfonamide has a molecular weight of 390.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 122456076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).