2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide

C13H11N3O6S — CID 154689780

IUPAC2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide
SMILESNS(=O)(=O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C13H11N3O6S/c14-23(21,22)8-3-1-2-6-10(8)13(20)16(12(6)19)7-4-5-9(17)15-11(7)18/h1-3,7H,4-5H2,(H2,14,21,22)(H,15,17,18)
InChIKeyDKZXFLGOWQUQTA-UHFFFAOYSA-N
MW337.31 g/mol
LogP-1.26
Rot. Bonds2

About 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide

2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide (PubChem CID 154689780) has the molecular formula C13H11N3O6S and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide
PubChem CID154689780
Molecular FormulaC13H11N3O6S
Molecular Weight337.31 g/mol
Exact Mass337.04
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide
SMILESNS(=O)(=O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C13H11N3O6S/c14-23(21,22)8-3-1-2-6-10(8)13(20)16(12(6)19)7-4-5-9(17)15-11(7)18/h1-3,7H,4-5H2,(H2,14,21,22)(H,15,17,18)
InChIKeyDKZXFLGOWQUQTA-UHFFFAOYSA-N
XLogP-1.26
TPSA143.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione
CID 150998829
2-(2,6-dioxopiperidin-3-yl)-4-(2-iodoethylsulfonyl)isoindole-1,3-dione
CID 152675638
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
2-(2,6-dioxopiperidin-3-yl)-4-(6-iodohexylsulfonyl)isoindole-1,3-dione
CID 151673072
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]isoindole-1,3-dione
CID 153351794
4-[2-[2-(2-bromoethoxy)ethoxy]ethylsulfonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 153351708
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134488749

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide (CID 154689780) is 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide is NS(=O)(=O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide?
The InChIKey is DKZXFLGOWQUQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O6S/c14-23(21,22)8-3-1-2-6-10(8)13(20)16(12(6)19)7-4-5-9(17)15-11(7)18/h1-3,7H,4-5H2,(H2,14,21,22)(H,15,17,18).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide?
2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide has a molecular weight of 337.31 g/mol, XLogP of -1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide is sourced from PubChem (CID 154689780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).