2-[3-(benzenesulfonamido)-2-oxoquinolin-1-yl]acetic acid

C17H14N2O5S — CID 22556005

IUPAC2-[3-(benzenesulfonamido)-2-oxoquinolin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(NS(=O)(=O)c2ccccc2)cc2ccccc21
InChIInChI=1S/C17H14N2O5S/c20-16(21)11-19-15-9-5-4-6-12(15)10-14(17(19)22)18-25(23,24)13-7-2-1-3-8-13/h1-10,18H,11H2,(H,20,21)
InChIKeyLEOHFYWVZZHYBY-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.89
Rot. Bonds5

About 2-[3-(benzenesulfonamido)-2-oxoquinolin-1-yl]acetic acid

2-[3-(benzenesulfonamido)-2-oxoquinolin-1-yl]acetic acid (PubChem CID 22556005) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-[3-(benzenesulfonamido)-2-oxoquinolin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(benzenesulfonamido)-2-oxoquinolin-1-yl]acetic acid
PubChem CID22556005
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name2-[3-(benzenesulfonamido)-2-oxoquinolin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(NS(=O)(=O)c2ccccc2)cc2ccccc21
InChIInChI=1S/C17H14N2O5S/c20-16(21)11-19-15-9-5-4-6-12(15)10-14(17(19)22)18-25(23,24)13-7-2-1-3-8-13/h1-10,18H,11H2,(H,20,21)
InChIKeyLEOHFYWVZZHYBY-UHFFFAOYSA-N
XLogP1.89
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(benzenesulfonamido)-2-oxoquinolin-1-yl]acetic 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

2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid
CID 12072027
N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide
CID 174891130
1-[[4-(methylsulfamoyl)phenyl]methyl]indole-2-carboxylic acid
CID 67665431
2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide
CID 46394229
2-(2-propylindol-1-yl)acetic acid
CID 139491348
N-(benzenesulfonyl)-2-indol-1-ylacetamide
CID 87044187
N-(1-methyl-2-oxoquinolin-3-yl)methanesulfonamide
CID 101432632
N-(2-hydroxyindol-1-yl)benzenesulfonamide
CID 90697649
N-benzyl-2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 53161501
N-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide
CID 142745815
2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511079
2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid
CID 59473753

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonamido)-2-oxoquinolin-1-yl]acetic acid?
The IUPAC name of 2-[3-(benzenesulfonamido)-2-oxoquinolin-1-yl]acetic acid (CID 22556005) is 2-[3-(benzenesulfonamido)-2-oxoquinolin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(benzenesulfonamido)-2-oxoquinolin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(benzenesulfonamido)-2-oxoquinolin-1-yl]acetic acid is O=C(O)Cn1c(=O)c(NS(=O)(=O)c2ccccc2)cc2ccccc21.
What is the InChIKey of 2-[3-(benzenesulfonamido)-2-oxoquinolin-1-yl]acetic acid?
The InChIKey is LEOHFYWVZZHYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c20-16(21)11-19-15-9-5-4-6-12(15)10-14(17(19)22)18-25(23,24)13-7-2-1-3-8-13/h1-10,18H,11H2,(H,20,21).
What are the key properties of 2-[3-(benzenesulfonamido)-2-oxoquinolin-1-yl]acetic acid?
2-[3-(benzenesulfonamido)-2-oxoquinolin-1-yl]acetic acid has a molecular weight of 358.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonamido)-2-oxoquinolin-1-yl]acetic acid is sourced from PubChem (CID 22556005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).