7-(methylsulfamoyl)-1-oxo-2H-isoquinoline-4-carboxylic acid

C11H10N2O5S — CID 59295967

IUPAC7-(methylsulfamoyl)-1-oxo-2H-isoquinoline-4-carboxylic acid
SMILESCNS(=O)(=O)c1ccc2c(C(=O)O)c[nH]c(=O)c2c1
InChIInChI=1S/C11H10N2O5S/c1-12-19(17,18)6-2-3-7-8(4-6)10(14)13-5-9(7)11(15)16/h2-5,12H,1H3,(H,13,14)(H,15,16)
InChIKeyAQPWVQDKJRXABZ-UHFFFAOYSA-N
MW282.28 g/mol
LogP0.13
Rot. Bonds3

About 7-(methylsulfamoyl)-1-oxo-2H-isoquinoline-4-carboxylic acid

7-(methylsulfamoyl)-1-oxo-2H-isoquinoline-4-carboxylic acid (PubChem CID 59295967) has the molecular formula C11H10N2O5S and a molecular weight of 282.28 g/mol. Its IUPAC name is 7-(methylsulfamoyl)-1-oxo-2H-isoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-(methylsulfamoyl)-1-oxo-2H-isoquinoline-4-carboxylic acid
PubChem CID59295967
Molecular FormulaC11H10N2O5S
Molecular Weight282.28 g/mol
Exact Mass282.03
IUPAC Name7-(methylsulfamoyl)-1-oxo-2H-isoquinoline-4-carboxylic acid
SMILESCNS(=O)(=O)c1ccc2c(C(=O)O)c[nH]c(=O)c2c1
InChIInChI=1S/C11H10N2O5S/c1-12-19(17,18)6-2-3-7-8(4-6)10(14)13-5-9(7)11(15)16/h2-5,12H,1H3,(H,13,14)(H,15,16)
InChIKeyAQPWVQDKJRXABZ-UHFFFAOYSA-N
XLogP0.13
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-(methylsulfamoyl)-1-oxo-2H-isoquinoline-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

Frequently Asked Questions

What is the IUPAC name of 7-(methylsulfamoyl)-1-oxo-2H-isoquinoline-4-carboxylic acid?
The IUPAC name of 7-(methylsulfamoyl)-1-oxo-2H-isoquinoline-4-carboxylic acid (CID 59295967) is 7-(methylsulfamoyl)-1-oxo-2H-isoquinoline-4-carboxylic acid.
What is the SMILES notation for 7-(methylsulfamoyl)-1-oxo-2H-isoquinoline-4-carboxylic acid?
The canonical SMILES for 7-(methylsulfamoyl)-1-oxo-2H-isoquinoline-4-carboxylic acid is CNS(=O)(=O)c1ccc2c(C(=O)O)c[nH]c(=O)c2c1.
What is the InChIKey of 7-(methylsulfamoyl)-1-oxo-2H-isoquinoline-4-carboxylic acid?
The InChIKey is AQPWVQDKJRXABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5S/c1-12-19(17,18)6-2-3-7-8(4-6)10(14)13-5-9(7)11(15)16/h2-5,12H,1H3,(H,13,14)(H,15,16).
What are the key properties of 7-(methylsulfamoyl)-1-oxo-2H-isoquinoline-4-carboxylic acid?
7-(methylsulfamoyl)-1-oxo-2H-isoquinoline-4-carboxylic acid has a molecular weight of 282.28 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylsulfamoyl)-1-oxo-2H-isoquinoline-4-carboxylic acid is sourced from PubChem (CID 59295967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).