2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione

C32H14N4O10S — CID 3108913

IUPAC2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(N3C(=O)c5ccccc5C3=O)C4=O)cc2C1=O
InChIInChI=1S/C32H14N4O10S/c37-25-17-5-1-2-6-18(17)26(38)33(25)35-29(41)21-11-9-15(13-23(21)31(35)43)47(45,46)16-10-12-22-24(14-16)32(44)36(30(22)42)34-27(39)19-7-3-4-8-20(19)28(34)40/h1-14H
InChIKeyWZNNMWHECQMIJP-UHFFFAOYSA-N
MW646.55 g/mol
LogP2.13
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione

2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione (PubChem CID 3108913) has the molecular formula C32H14N4O10S and a molecular weight of 646.55 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione
PubChem CID3108913
Molecular FormulaC32H14N4O10S
Molecular Weight646.55 g/mol
Exact Mass646.04
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(N3C(=O)c5ccccc5C3=O)C4=O)cc2C1=O
InChIInChI=1S/C32H14N4O10S/c37-25-17-5-1-2-6-18(17)26(38)33(25)35-29(41)21-11-9-15(13-23(21)31(35)43)47(45,46)16-10-12-22-24(14-16)32(44)36(30(22)42)34-27(39)19-7-3-4-8-20(19)28(34)40/h1-14H
InChIKeyWZNNMWHECQMIJP-UHFFFAOYSA-N
XLogP2.13
TPSA183.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500646.55
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione (CID 3108913) is 2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione is O=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(N3C(=O)c5ccccc5C3=O)C4=O)cc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione?
The InChIKey is WZNNMWHECQMIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H14N4O10S/c37-25-17-5-1-2-6-18(17)26(38)33(25)35-29(41)21-11-9-15(13-23(21)31(35)43)47(45,46)16-10-12-22-24(14-16)32(44)36(30(22)42)34-27(39)19-7-3-4-8-20(19)28(34)40/h1-14H.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione?
2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione has a molecular weight of 646.55 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione is sourced from PubChem (CID 3108913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).