N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide

C21H25FN2O4S — CID 16927509

IUPACN-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide
SMILESCCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(OCC)c(F)c3)ccc21
InChIInChI=1S/C21H25FN2O4S/c1-3-5-12-24-19-9-7-16(13-15(19)6-11-21(24)25)23-29(26,27)17-8-10-20(28-4-2)18(22)14-17/h7-10,13-14,23H,3-6,11-12H2,1-2H3
InChIKeyQYDAXVXQYLQGNH-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.10
Rot. Bonds8

About N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide

N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide (PubChem CID 16927509) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide
PubChem CID16927509
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC NameN-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide
SMILESCCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(OCC)c(F)c3)ccc21
InChIInChI=1S/C21H25FN2O4S/c1-3-5-12-24-19-9-7-16(13-15(19)6-11-21(24)25)23-29(26,27)17-8-10-20(28-4-2)18(22)14-17/h7-10,13-14,23H,3-6,11-12H2,1-2H3
InChIKeyQYDAXVXQYLQGNH-UHFFFAOYSA-N
XLogP4.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide with MolForge

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Related Compounds

4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927461
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide
CID 16927465
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide
CID 16927341
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propylbenzenesulfonamide
CID 20933642
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 20933581
3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 167951208
3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16820986
3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927292
4-ethoxy-3-fluoro-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide
CID 16926702
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 71842864
2,5-dimethoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16828141
N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide
CID 110777401

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide?
The IUPAC name of N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide (CID 16927509) is N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide is CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(OCC)c(F)c3)ccc21.
What is the InChIKey of N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide?
The InChIKey is QYDAXVXQYLQGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-3-5-12-24-19-9-7-16(13-15(19)6-11-21(24)25)23-29(26,27)17-8-10-20(28-4-2)18(22)14-17/h7-10,13-14,23H,3-6,11-12H2,1-2H3.
What are the key properties of N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide?
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide has a molecular weight of 420.51 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide is sourced from PubChem (CID 16927509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).