4,8-dimethyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide

C18H18N2O3S — CID 16824699

IUPAC4,8-dimethyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C)c3[nH]c(=O)cc(C)c3c2)c1
InChIInChI=1S/C18H18N2O3S/c1-11-5-4-6-14(7-11)20-24(22,23)15-8-13(3)18-16(10-15)12(2)9-17(21)19-18/h4-10,20H,1-3H3,(H,19,21)
InChIKeySYPUQZISTLMUAU-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.25
Rot. Bonds3

About 4,8-dimethyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide

4,8-dimethyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 16824699) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4,8-dimethyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name4,8-dimethyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID16824699
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name4,8-dimethyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C)c3[nH]c(=O)cc(C)c3c2)c1
InChIInChI=1S/C18H18N2O3S/c1-11-5-4-6-14(7-11)20-24(22,23)15-8-13(3)18-16(10-15)12(2)9-17(21)19-18/h4-10,20H,1-3H3,(H,19,21)
InChIKeySYPUQZISTLMUAU-UHFFFAOYSA-N
XLogP3.25
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 99978032
6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid
CID 2396440
4-methyl-2-oxo-N-phenyl-1H-quinoline-6-sulfonamide
CID 16804856
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 752841
3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 115421074
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
N-(2-ethoxyethyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide
CID 6324334
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
2-[(4-methyl-2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(3-methylphenyl)acetamide
CID 99978025
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
3-isocyanato-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 174300934

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of 4,8-dimethyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide (CID 16824699) is 4,8-dimethyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 4,8-dimethyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for 4,8-dimethyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide is Cc1cccc(NS(=O)(=O)c2cc(C)c3[nH]c(=O)cc(C)c3c2)c1.
What is the InChIKey of 4,8-dimethyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is SYPUQZISTLMUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11-5-4-6-14(7-11)20-24(22,23)15-8-13(3)18-16(10-15)12(2)9-17(21)19-18/h4-10,20H,1-3H3,(H,19,21).
What are the key properties of 4,8-dimethyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide?
4,8-dimethyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 16824699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).