8-[(4-methylphenyl)sulfonylamino]quinoline-2-carboxylic acid

C17H14N2O4S — CID 158901704

IUPAC8-[(4-methylphenyl)sulfonylamino]quinoline-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2cccc3ccc(C(=O)O)nc23)cc1
InChIInChI=1S/C17H14N2O4S/c1-11-5-8-13(9-6-11)24(22,23)19-14-4-2-3-12-7-10-15(17(20)21)18-16(12)14/h2-10,19H,1H3,(H,20,21)
InChIKeyJFNLVSBBABSURJ-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.04
Rot. Bonds4

About 8-[(4-methylphenyl)sulfonylamino]quinoline-2-carboxylic acid

8-[(4-methylphenyl)sulfonylamino]quinoline-2-carboxylic acid (PubChem CID 158901704) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 8-[(4-methylphenyl)sulfonylamino]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-[(4-methylphenyl)sulfonylamino]quinoline-2-carboxylic acid
PubChem CID158901704
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name8-[(4-methylphenyl)sulfonylamino]quinoline-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2cccc3ccc(C(=O)O)nc23)cc1
InChIInChI=1S/C17H14N2O4S/c1-11-5-8-13(9-6-11)24(22,23)19-14-4-2-3-12-7-10-15(17(20)21)18-16(12)14/h2-10,19H,1H3,(H,20,21)
InChIKeyJFNLVSBBABSURJ-UHFFFAOYSA-N
XLogP3.04
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-[(4-methylphenyl)sulfonylamino]quinoline-2-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

1,10-phenanthroline-2,9-dicarboxylic Acid
CID 7567134
2-[4-(Methylsulfonyl)phenyl]quinoline-4-carboxylic acid
CID 45484408
8-aminoquinoline-2-carboxylic Acid
CID 917054
1-(4-Methylphenyl)sulfonylindole-2-carboxylic acid
CID 19047802
8-(Methanesulfonamido)quinoline-2-carboxylic acid
CID 22670867
3-(Quinolin-8-ylsulfamoyl)-benzoic acid methyl ester
CID 31702993
4-[[4-(Acridin-9-ylamino)phenyl]sulfamoyl]benzoic acid
CID 44337000
2-[(2,3-Diphenylquinoxalin-6-yl)sulfonylamino]benzoic acid
CID 71740073
8-(Benzenesulfonamido)quinoline-2-carboxylic acid
CID 101161251
4-Phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid
CID 168510355
5-Phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid
CID 169449988
6-[2-[2-(Naphthalen-2-ylsulfonylamino)phenyl]ethynyl]pyridine-2-carboxylic acid
CID 171349927

Frequently Asked Questions

What is the IUPAC name of 8-[(4-methylphenyl)sulfonylamino]quinoline-2-carboxylic acid?
The IUPAC name of 8-[(4-methylphenyl)sulfonylamino]quinoline-2-carboxylic acid (CID 158901704) is 8-[(4-methylphenyl)sulfonylamino]quinoline-2-carboxylic acid.
What is the SMILES notation for 8-[(4-methylphenyl)sulfonylamino]quinoline-2-carboxylic acid?
The canonical SMILES for 8-[(4-methylphenyl)sulfonylamino]quinoline-2-carboxylic acid is Cc1ccc(S(=O)(=O)Nc2cccc3ccc(C(=O)O)nc23)cc1.
What is the InChIKey of 8-[(4-methylphenyl)sulfonylamino]quinoline-2-carboxylic acid?
The InChIKey is JFNLVSBBABSURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-11-5-8-13(9-6-11)24(22,23)19-14-4-2-3-12-7-10-15(17(20)21)18-16(12)14/h2-10,19H,1H3,(H,20,21).
What are the key properties of 8-[(4-methylphenyl)sulfonylamino]quinoline-2-carboxylic acid?
8-[(4-methylphenyl)sulfonylamino]quinoline-2-carboxylic acid has a molecular weight of 342.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methylphenyl)sulfonylamino]quinoline-2-carboxylic acid is sourced from PubChem (CID 158901704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).