2-(4-phenylphenyl)sulfonylisoindole-1,3-dione

C20H13NO4S — CID 164613520

IUPAC2-(4-phenylphenyl)sulfonylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H13NO4S/c22-19-17-8-4-5-9-18(17)20(23)21(19)26(24,25)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
InChIKeyGWMPMXHLDRQVMG-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.34
Rot. Bonds3

About 2-(4-phenylphenyl)sulfonylisoindole-1,3-dione

2-(4-phenylphenyl)sulfonylisoindole-1,3-dione (PubChem CID 164613520) has the molecular formula C20H13NO4S and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-(4-phenylphenyl)sulfonylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-phenylphenyl)sulfonylisoindole-1,3-dione
PubChem CID164613520
Molecular FormulaC20H13NO4S
Molecular Weight363.39 g/mol
Exact Mass363.06
IUPAC Name2-(4-phenylphenyl)sulfonylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H13NO4S/c22-19-17-8-4-5-9-18(17)20(23)21(19)26(24,25)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
InChIKeyGWMPMXHLDRQVMG-UHFFFAOYSA-N
XLogP3.34
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)sulfonylisoindole-1,3-dione?
The IUPAC name of 2-(4-phenylphenyl)sulfonylisoindole-1,3-dione (CID 164613520) is 2-(4-phenylphenyl)sulfonylisoindole-1,3-dione.
What is the SMILES notation for 2-(4-phenylphenyl)sulfonylisoindole-1,3-dione?
The canonical SMILES for 2-(4-phenylphenyl)sulfonylisoindole-1,3-dione is O=C1c2ccccc2C(=O)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)sulfonylisoindole-1,3-dione?
The InChIKey is GWMPMXHLDRQVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO4S/c22-19-17-8-4-5-9-18(17)20(23)21(19)26(24,25)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H.
What are the key properties of 2-(4-phenylphenyl)sulfonylisoindole-1,3-dione?
2-(4-phenylphenyl)sulfonylisoindole-1,3-dione has a molecular weight of 363.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)sulfonylisoindole-1,3-dione is sourced from PubChem (CID 164613520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).