6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid

C24H19N3O6S — CID 126479306

IUPAC6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1ccccc1C(=O)Nc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1
InChIInChI=1S/C24H19N3O6S/c1-14-6-2-3-7-16(14)23(29)26-20-8-4-5-9-21(20)27-34(32,33)15-10-11-19-17(12-15)22(28)18(13-25-19)24(30)31/h2-13,27H,1H3,(H,25,28)(H,26,29)(H,30,31)
InChIKeyJIFXNJNJKLISER-UHFFFAOYSA-N
MW477.50 g/mol
LogP3.59
Rot. Bonds6

About 6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid

6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 126479306) has the molecular formula C24H19N3O6S and a molecular weight of 477.50 g/mol. Its IUPAC name is 6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID126479306
Molecular FormulaC24H19N3O6S
Molecular Weight477.50 g/mol
Exact Mass477.10
IUPAC Name6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1ccccc1C(=O)Nc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1
InChIInChI=1S/C24H19N3O6S/c1-14-6-2-3-7-16(14)23(29)26-20-8-4-5-9-21(20)27-34(32,33)15-10-11-19-17(12-15)22(28)18(13-25-19)24(30)31/h2-13,27H,1H3,(H,25,28)(H,26,29)(H,30,31)
InChIKeyJIFXNJNJKLISER-UHFFFAOYSA-N
XLogP3.59
TPSA145.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid with MolForge

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Related Compounds

4-oxo-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid
CID 5131637
6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide
CID 15990667
2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 169370457
N-(4-chloro-2-methylphenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 52556593
N-(2,3-dimethylphenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43832057
6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 3513999
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 3236136
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378591
2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
CID 962498

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid (CID 126479306) is 6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid is Cc1ccccc1C(=O)Nc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1.
What is the InChIKey of 6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is JIFXNJNJKLISER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O6S/c1-14-6-2-3-7-16(14)23(29)26-20-8-4-5-9-21(20)27-34(32,33)15-10-11-19-17(12-15)22(28)18(13-25-19)24(30)31/h2-13,27H,1H3,(H,25,28)(H,26,29)(H,30,31).
What are the key properties of 6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid?
6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 477.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 126479306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).