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

C20H24N2O3S — CID 16927465

IUPACN-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide
SMILESCCCCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(C)c3)ccc21
InChIInChI=1S/C20H24N2O3S/c1-3-4-12-22-19-10-9-17(14-16(19)8-11-20(22)23)21-26(24,25)18-7-5-6-15(2)13-18/h5-7,9-10,13-14,21H,3-4,8,11-12H2,1-2H3
InChIKeyKSOWQBBAQGEMQD-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.88
Rot. Bonds6

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

N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide (PubChem CID 16927465) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide
PubChem CID16927465
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide
SMILESCCCCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(C)c3)ccc21
InChIInChI=1S/C20H24N2O3S/c1-3-4-12-22-19-10-9-17(14-16(19)8-11-20(22)23)21-26(24,25)18-7-5-6-15(2)13-18/h5-7,9-10,13-14,21H,3-4,8,11-12H2,1-2H3
InChIKeyKSOWQBBAQGEMQD-UHFFFAOYSA-N
XLogP3.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-methylbenzenesulfonamide
CID 30532671
3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927553
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide
CID 16927387
4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927461
3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927292
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide
CID 16927509
3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide
CID 110729389
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide
CID 71842856
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propylbenzenesulfonamide
CID 20933642
1-butyl-6-[(3-methylphenyl)methylsulfonylmethyl]-3,4-dihydroquinolin-2-one
CID 159745597
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 40889537
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide
CID 16927341

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide (CID 16927465) is N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide is CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(C)c3)ccc21.
What is the InChIKey of N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide?
The InChIKey is KSOWQBBAQGEMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-4-12-22-19-10-9-17(14-16(19)8-11-20(22)23)21-26(24,25)18-7-5-6-15(2)13-18/h5-7,9-10,13-14,21H,3-4,8,11-12H2,1-2H3.
What are the key properties of N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide?
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 16927465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).