5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid

C15H12N2O6S — CID 69058052

IUPAC5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCOc1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)c2ncccc2c1
InChIInChI=1S/C15H12N2O6S/c1-22-10-7-9-3-2-6-16-14(9)11(8-10)17-24(20,21)13-5-4-12(23-13)15(18)19/h2-8,17H,1H3,(H,18,19)
InChIKeyQCOMMJDNQRVGMZ-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.34
Rot. Bonds5

About 5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid

5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 69058052) has the molecular formula C15H12N2O6S and a molecular weight of 348.34 g/mol. Its IUPAC name is 5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID69058052
Molecular FormulaC15H12N2O6S
Molecular Weight348.34 g/mol
Exact Mass348.04
IUPAC Name5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCOc1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)c2ncccc2c1
InChIInChI=1S/C15H12N2O6S/c1-22-10-7-9-3-2-6-16-14(9)11(8-10)17-24(20,21)13-5-4-12(23-13)15(18)19/h2-8,17H,1H3,(H,18,19)
InChIKeyQCOMMJDNQRVGMZ-UHFFFAOYSA-N
XLogP2.34
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid (CID 69058052) is 5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid is COc1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)c2ncccc2c1.
What is the InChIKey of 5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is QCOMMJDNQRVGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O6S/c1-22-10-7-9-3-2-6-16-14(9)11(8-10)17-24(20,21)13-5-4-12(23-13)15(18)19/h2-8,17H,1H3,(H,18,19).
What are the key properties of 5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid?
5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 348.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 69058052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).