N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-4-fluorobenzenesulfonamide

C18H19FN2O3S — CID 138673288

IUPACN-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCCN1C(=O)CCc2cc(CNS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C18H19FN2O3S/c1-2-21-17-9-3-13(11-14(17)4-10-18(21)22)12-20-25(23,24)16-7-5-15(19)6-8-16/h3,5-9,11,20H,2,4,10,12H2,1H3
InChIKeyJEGATJLKTZYLRP-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.60
Rot. Bonds5

About N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-4-fluorobenzenesulfonamide

N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 138673288) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-4-fluorobenzenesulfonamide
PubChem CID138673288
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCCN1C(=O)CCc2cc(CNS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C18H19FN2O3S/c1-2-21-17-9-3-13(11-14(17)4-10-18(21)22)12-20-25(23,24)16-7-5-15(19)6-8-16/h3,5-9,11,20H,2,4,10,12H2,1H3
InChIKeyJEGATJLKTZYLRP-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide
CID 138673308
N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-methylimidazole-4-sulfonamide
CID 138673315
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 40889539
1-(4-cyclopropylphenyl)-N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide
CID 138673290
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide
CID 110785413
1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide
CID 119055614
N-[(2-oxo-1-phenyl-3,4-dihydroquinolin-6-yl)methyl]benzenesulfonamide
CID 122456073
N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide
CID 138673339
4-fluoro-N-[1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)ethyl]benzenesulfonamide
CID 122456076
1-ethyl-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115259576
N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide
CID 138673366
1-(4-tert-butylphenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide
CID 138673310

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-4-fluorobenzenesulfonamide (CID 138673288) is N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-4-fluorobenzenesulfonamide is CCN1C(=O)CCc2cc(CNS(=O)(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is JEGATJLKTZYLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-2-21-17-9-3-13(11-14(17)4-10-18(21)22)12-20-25(23,24)16-7-5-15(19)6-8-16/h3,5-9,11,20H,2,4,10,12H2,1H3.
What are the key properties of N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-4-fluorobenzenesulfonamide?
N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 362.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 138673288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).