N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide

C19H19F3N2O4S — CID 71842864

IUPACN-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C19H19F3N2O4S/c1-28-11-10-24-17-8-5-15(12-13(17)2-9-18(24)25)23-29(26,27)16-6-3-14(4-7-16)19(20,21)22/h3-8,12,23H,2,9-11H2,1H3
InChIKeyOYLSGRHJXMUDDW-UHFFFAOYSA-N
MW428.43 g/mol
LogP3.43
Rot. Bonds6

About N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide

N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 71842864) has the molecular formula C19H19F3N2O4S and a molecular weight of 428.43 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID71842864
Molecular FormulaC19H19F3N2O4S
Molecular Weight428.43 g/mol
Exact Mass428.10
IUPAC NameN-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C19H19F3N2O4S/c1-28-11-10-24-17-8-5-15(12-13(17)2-9-18(24)25)23-29(26,27)16-6-3-14(4-7-16)19(20,21)22/h3-8,12,23H,2,9-11H2,1H3
InChIKeyOYLSGRHJXMUDDW-UHFFFAOYSA-N
XLogP3.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide
CID 71842856
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-methylbenzenesulfonamide
CID 30532671
1-(3,5-difluorophenyl)-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide
CID 71842852
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide
CID 16927341
5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 30532854
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propylbenzenesulfonamide
CID 20933642
4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927461
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 20933581
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 16826950
4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927551
N-[4-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)sulfamoyl]phenyl]butanamide
CID 20933594
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide
CID 16927509

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide (CID 71842864) is N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide is COCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc21.
What is the InChIKey of N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OYLSGRHJXMUDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4S/c1-28-11-10-24-17-8-5-15(12-13(17)2-9-18(24)25)23-29(26,27)16-6-3-14(4-7-16)19(20,21)22/h3-8,12,23H,2,9-11H2,1H3.
What are the key properties of N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide?
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 428.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71842864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).