2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenyl)sulfonylisoindole-1,3-dione

C22H20N2O6S — CID 164614668

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenyl)sulfonylisoindole-1,3-dione
SMILESCC(C)c1ccc(S(=O)(=O)c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
InChIInChI=1S/C22H20N2O6S/c1-12(2)13-6-8-14(9-7-13)31(29,30)17-5-3-4-15-19(17)22(28)24(21(15)27)16-10-11-18(25)23-20(16)26/h3-9,12,16H,10-11H2,1-2H3,(H,23,25,26)
InChIKeyFEFHPFRCEOXCDJ-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.04
Rot. Bonds4

About 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenyl)sulfonylisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenyl)sulfonylisoindole-1,3-dione (PubChem CID 164614668) has the molecular formula C22H20N2O6S and a molecular weight of 440.48 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenyl)sulfonylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenyl)sulfonylisoindole-1,3-dione
PubChem CID164614668
Molecular FormulaC22H20N2O6S
Molecular Weight440.48 g/mol
Exact Mass440.10
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenyl)sulfonylisoindole-1,3-dione
SMILESCC(C)c1ccc(S(=O)(=O)c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
InChIInChI=1S/C22H20N2O6S/c1-12(2)13-6-8-14(9-7-13)31(29,30)17-5-3-4-15-19(17)22(28)24(21(15)27)16-10-11-18(25)23-20(16)26/h3-9,12,16H,10-11H2,1-2H3,(H,23,25,26)
InChIKeyFEFHPFRCEOXCDJ-UHFFFAOYSA-N
XLogP2.04
TPSA117.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenyl)sulfonylisoindole-1,3-dione 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 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenyl)sulfonylisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenyl)sulfonylisoindole-1,3-dione (CID 164614668) is 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenyl)sulfonylisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenyl)sulfonylisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenyl)sulfonylisoindole-1,3-dione is CC(C)c1ccc(S(=O)(=O)c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenyl)sulfonylisoindole-1,3-dione?
The InChIKey is FEFHPFRCEOXCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6S/c1-12(2)13-6-8-14(9-7-13)31(29,30)17-5-3-4-15-19(17)22(28)24(21(15)27)16-10-11-18(25)23-20(16)26/h3-9,12,16H,10-11H2,1-2H3,(H,23,25,26).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenyl)sulfonylisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenyl)sulfonylisoindole-1,3-dione has a molecular weight of 440.48 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenyl)sulfonylisoindole-1,3-dione is sourced from PubChem (CID 164614668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).