N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C17H16N2O4S — CID 7586386

IUPACN-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C17H16N2O4S/c1-11(20)12-2-5-14(6-3-12)19-24(22,23)15-7-8-16-13(10-15)4-9-17(21)18-16/h2-3,5-8,10,19H,4,9H2,1H3,(H,18,21)
InChIKeyXVGKCUDOPBHEKH-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.57
Rot. Bonds4

About N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 7586386) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID7586386
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C17H16N2O4S/c1-11(20)12-2-5-14(6-3-12)19-24(22,23)15-7-8-16-13(10-15)4-9-17(21)18-16/h2-3,5-8,10,19H,4,9H2,1H3,(H,18,21)
InChIKeyXVGKCUDOPBHEKH-UHFFFAOYSA-N
XLogP2.57
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
N-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 7601955
N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3656150
4-(3-(4-Acetylphenyl)ureido)benzenesulfonamide
CID 27870796
N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 4547230
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
4-[(3,4-Dioxo-3,4-dihydro-1-naphthalenyl)amino]benzenesulfonamide
CID 367783
N-cyclohexyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647908
N,N-diethyl-6-oxo-5,6-dihydrophenanthridine-2-sulfonamide
CID 6324455
N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7066682
N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8512230
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 7586386) is N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is XVGKCUDOPBHEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-11(20)12-2-5-14(6-3-12)19-24(22,23)15-7-8-16-13(10-15)4-9-17(21)18-16/h2-3,5-8,10,19H,4,9H2,1H3,(H,18,21).
What are the key properties of N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 344.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 7586386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).