1,3-dioxo-2-[2-(4-sulfamoylphenyl)ethyl]isoindole-5-carboxylic acid

C17H14N2O6S — CID 155809525

IUPAC1,3-dioxo-2-[2-(4-sulfamoylphenyl)ethyl]isoindole-5-carboxylic acid
SMILESNS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1
InChIInChI=1S/C17H14N2O6S/c18-26(24,25)12-4-1-10(2-5-12)7-8-19-15(20)13-6-3-11(17(22)23)9-14(13)16(19)21/h1-6,9H,7-8H2,(H,22,23)(H2,18,24,25)
InChIKeyGYAMADYYIZTRHJ-UHFFFAOYSA-N
MW374.37 g/mol
LogP0.87
Rot. Bonds5

About 1,3-dioxo-2-[2-(4-sulfamoylphenyl)ethyl]isoindole-5-carboxylic acid

1,3-dioxo-2-[2-(4-sulfamoylphenyl)ethyl]isoindole-5-carboxylic acid (PubChem CID 155809525) has the molecular formula C17H14N2O6S and a molecular weight of 374.37 g/mol. Its IUPAC name is 1,3-dioxo-2-[2-(4-sulfamoylphenyl)ethyl]isoindole-5-carboxylic acid.

Molecular Properties

Compound Name1,3-dioxo-2-[2-(4-sulfamoylphenyl)ethyl]isoindole-5-carboxylic acid
PubChem CID155809525
Molecular FormulaC17H14N2O6S
Molecular Weight374.37 g/mol
Exact Mass374.06
IUPAC Name1,3-dioxo-2-[2-(4-sulfamoylphenyl)ethyl]isoindole-5-carboxylic acid
SMILESNS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1
InChIInChI=1S/C17H14N2O6S/c18-26(24,25)12-4-1-10(2-5-12)7-8-19-15(20)13-6-3-11(17(22)23)9-14(13)16(19)21/h1-6,9H,7-8H2,(H,22,23)(H2,18,24,25)
InChIKeyGYAMADYYIZTRHJ-UHFFFAOYSA-N
XLogP0.87
TPSA134.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-2-[2-(4-sulfamoylphenyl)ethyl]isoindole-5-carboxylic acid?
The IUPAC name of 1,3-dioxo-2-[2-(4-sulfamoylphenyl)ethyl]isoindole-5-carboxylic acid (CID 155809525) is 1,3-dioxo-2-[2-(4-sulfamoylphenyl)ethyl]isoindole-5-carboxylic acid.
What is the SMILES notation for 1,3-dioxo-2-[2-(4-sulfamoylphenyl)ethyl]isoindole-5-carboxylic acid?
The canonical SMILES for 1,3-dioxo-2-[2-(4-sulfamoylphenyl)ethyl]isoindole-5-carboxylic acid is NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1.
What is the InChIKey of 1,3-dioxo-2-[2-(4-sulfamoylphenyl)ethyl]isoindole-5-carboxylic acid?
The InChIKey is GYAMADYYIZTRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O6S/c18-26(24,25)12-4-1-10(2-5-12)7-8-19-15(20)13-6-3-11(17(22)23)9-14(13)16(19)21/h1-6,9H,7-8H2,(H,22,23)(H2,18,24,25).
What are the key properties of 1,3-dioxo-2-[2-(4-sulfamoylphenyl)ethyl]isoindole-5-carboxylic acid?
1,3-dioxo-2-[2-(4-sulfamoylphenyl)ethyl]isoindole-5-carboxylic acid has a molecular weight of 374.37 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-2-[2-(4-sulfamoylphenyl)ethyl]isoindole-5-carboxylic acid is sourced from PubChem (CID 155809525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).