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

C17H14N2O5S — CID 2396440

IUPAC6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid
SMILESCc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)O)c3c2)c1
InChIInChI=1S/C17H14N2O5S/c1-10-3-2-4-11(7-10)19-25(23,24)12-5-6-15-13(8-12)14(17(21)22)9-16(20)18-15/h2-9,19H,1H3,(H,18,20)(H,21,22)
InChIKeyFYMMPGWOEJBHLK-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.34
Rot. Bonds4

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

6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid (PubChem CID 2396440) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is 6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid
PubChem CID2396440
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid
SMILESCc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)O)c3c2)c1
InChIInChI=1S/C17H14N2O5S/c1-10-3-2-4-11(7-10)19-25(23,24)12-5-6-15-13(8-12)14(17(21)22)9-16(20)18-15/h2-9,19H,1H3,(H,18,20)(H,21,22)
InChIKeyFYMMPGWOEJBHLK-UHFFFAOYSA-N
XLogP2.34
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-oxo-N-phenyl-1H-quinoline-6-sulfonamide
CID 16804856
N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 752841
4,8-dimethyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 16824699
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416
2-[(4-methyl-2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(3-methylphenyl)acetamide
CID 99978025
4-(azepane-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 24539720
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 6921137
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68563358
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
6-[(4-fluorophenyl)sulfamoyl]-2-oxo-N-(3-phenylprop-2-ynyl)-1H-quinoline-4-carboxamide
CID 55510277
7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 99978032

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid?
The IUPAC name of 6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid (CID 2396440) is 6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid is Cc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)O)c3c2)c1.
What is the InChIKey of 6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid?
The InChIKey is FYMMPGWOEJBHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c1-10-3-2-4-11(7-10)19-25(23,24)12-5-6-15-13(8-12)14(17(21)22)9-16(20)18-15/h2-9,19H,1H3,(H,18,20)(H,21,22).
What are the key properties of 6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid?
6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid has a molecular weight of 358.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 2396440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).