5-sulfamoylisoindole-2-carboxylic acid

C9H8N2O4S — CID 71089633

IUPAC5-sulfamoylisoindole-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc2cn(C(=O)O)cc2c1
InChIInChI=1S/C9H8N2O4S/c10-16(14,15)8-2-1-6-4-11(9(12)13)5-7(6)3-8/h1-5H,(H,12,13)(H2,10,14,15)
InChIKeyNDEJWZPXSALBGG-UHFFFAOYSA-N
MW240.24 g/mol
LogP0.81
Rot. Bonds1

About 5-sulfamoylisoindole-2-carboxylic acid

5-sulfamoylisoindole-2-carboxylic acid (PubChem CID 71089633) has the molecular formula C9H8N2O4S and a molecular weight of 240.24 g/mol. Its IUPAC name is 5-sulfamoylisoindole-2-carboxylic acid.

Molecular Properties

Compound Name5-sulfamoylisoindole-2-carboxylic acid
PubChem CID71089633
Molecular FormulaC9H8N2O4S
Molecular Weight240.24 g/mol
Exact Mass240.02
IUPAC Name5-sulfamoylisoindole-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc2cn(C(=O)O)cc2c1
InChIInChI=1S/C9H8N2O4S/c10-16(14,15)8-2-1-6-4-11(9(12)13)5-7(6)3-8/h1-5H,(H,12,13)(H2,10,14,15)
InChIKeyNDEJWZPXSALBGG-UHFFFAOYSA-N
XLogP0.81
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-sulfamoylisoindole-2-carboxylic acid?
The IUPAC name of 5-sulfamoylisoindole-2-carboxylic acid (CID 71089633) is 5-sulfamoylisoindole-2-carboxylic acid.
What is the SMILES notation for 5-sulfamoylisoindole-2-carboxylic acid?
The canonical SMILES for 5-sulfamoylisoindole-2-carboxylic acid is NS(=O)(=O)c1ccc2cn(C(=O)O)cc2c1.
What is the InChIKey of 5-sulfamoylisoindole-2-carboxylic acid?
The InChIKey is NDEJWZPXSALBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4S/c10-16(14,15)8-2-1-6-4-11(9(12)13)5-7(6)3-8/h1-5H,(H,12,13)(H2,10,14,15).
What are the key properties of 5-sulfamoylisoindole-2-carboxylic acid?
5-sulfamoylisoindole-2-carboxylic acid has a molecular weight of 240.24 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfamoylisoindole-2-carboxylic acid is sourced from PubChem (CID 71089633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).