N-(1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide

C15H11N3O5S — CID 165430409

IUPACN-(1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C15H11N3O5S/c16-24(22,23)10-7-5-9(6-8-10)13(19)17-18-14(20)11-3-1-2-4-12(11)15(18)21/h1-8H,(H,17,19)(H2,16,22,23)
InChIKeyGTAVDSMAZQWNJM-UHFFFAOYSA-N
MW345.34 g/mol
LogP0.28
Rot. Bonds3

About N-(1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide

N-(1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide (PubChem CID 165430409) has the molecular formula C15H11N3O5S and a molecular weight of 345.34 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide
PubChem CID165430409
Molecular FormulaC15H11N3O5S
Molecular Weight345.34 g/mol
Exact Mass345.04
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C15H11N3O5S/c16-24(22,23)10-7-5-9(6-8-10)13(19)17-18-14(20)11-3-1-2-4-12(11)15(18)21/h1-8H,(H,17,19)(H2,16,22,23)
InChIKeyGTAVDSMAZQWNJM-UHFFFAOYSA-N
XLogP0.28
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 50.28
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 N-(1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide (CID 165430409) is N-(1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide?
The InChIKey is GTAVDSMAZQWNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O5S/c16-24(22,23)10-7-5-9(6-8-10)13(19)17-18-14(20)11-3-1-2-4-12(11)15(18)21/h1-8H,(H,17,19)(H2,16,22,23).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide?
N-(1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide has a molecular weight of 345.34 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide is sourced from PubChem (CID 165430409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).