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

C16H16N2O3S — CID 3656150

IUPACN-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C16H16N2O3S/c1-11-2-5-13(6-3-11)18-22(20,21)14-7-8-15-12(10-14)4-9-16(19)17-15/h2-3,5-8,10,18H,4,9H2,1H3,(H,17,19)
InChIKeyYIKOTMZSQQKCNN-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.68
Rot. Bonds3

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

N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 3656150) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID3656150
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C16H16N2O3S/c1-11-2-5-13(6-3-11)18-22(20,21)14-7-8-15-12(10-14)4-9-16(19)17-15/h2-3,5-8,10,18H,4,9H2,1H3,(H,17,19)
InChIKeyYIKOTMZSQQKCNN-UHFFFAOYSA-N
XLogP2.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
N-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 7601955
N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7066682
N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 4547230
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-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}-3-phenylpropanamide
CID 2812928
N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8512230
N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 16800466
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
N-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647906
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 3656150) is N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is YIKOTMZSQQKCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11-2-5-13(6-3-11)18-22(20,21)14-7-8-15-12(10-14)4-9-16(19)17-15/h2-3,5-8,10,18H,4,9H2,1H3,(H,17,19).
What are the key properties of N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 3656150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).