2-[4-[4-[4-[4-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]sulfonylphenoxy]phenyl]isoindole-1,3-dione

C40H24N2O8S — CID 102305846

About 2-[4-[4-[4-[4-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]sulfonylphenoxy]phenyl]isoindole-1,3-dione

2-[4-[4-[4-[4-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]sulfonylphenoxy]phenyl]isoindole-1,3-dione (PubChem CID 102305846) has the molecular formula C40H24N2O8S and a molecular weight of 692.71 g/mol. Its IUPAC name is 2-[4-[4-[4-[4-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]sulfonylphenoxy]phenyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[4-[4-[4-[4-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]sulfonylphenoxy]phenyl]isoindole-1,3-dione
• PubChem CID: 102305846
• Molecular Formula: C40H24N2O8S
• Molecular Weight: 692.71 g/mol
• Exact Mass: 692.13
• IUPAC Name: 2-[4-[4-[4-[4-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]sulfonylphenoxy]phenyl]isoindole-1,3-dione
• SMILES: O=C1c2ccccc2C(=O)N1c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N5C(=O)c6ccccc6C5=O)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C40H24N2O8S/c43-37-33-5-1-2-6-34(33)38(44)41(37)25-9-13-27(14-10-25)49-29-17-21-31(22-18-29)51(47,48)32-23-19-30(20-24-32)50-28-15-11-26(12-16-28)42-39(45)35-7-3-4-8-36(35)40(42)46/h1-24H
• InChIKey: GQLLHAVXWGIXPM-UHFFFAOYSA-N
• XLogP: 7.71
• TPSA: 127.36 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.71
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-[4-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]sulfonylphenoxy]phenyl]isoindole-1,3-dione?

The IUPAC name of 2-[4-[4-[4-[4-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]sulfonylphenoxy]phenyl]isoindole-1,3-dione (CID 102305846) is 2-[4-[4-[4-[4-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]sulfonylphenoxy]phenyl]isoindole-1,3-dione.

What is the SMILES notation for 2-[4-[4-[4-[4-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]sulfonylphenoxy]phenyl]isoindole-1,3-dione?

The canonical SMILES for 2-[4-[4-[4-[4-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]sulfonylphenoxy]phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N5C(=O)c6ccccc6C5=O)cc4)cc3)cc2)cc1.

What is the InChIKey of 2-[4-[4-[4-[4-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]sulfonylphenoxy]phenyl]isoindole-1,3-dione?

The InChIKey is GQLLHAVXWGIXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O8S/c43-37-33-5-1-2-6-34(33)38(44)41(37)25-9-13-27(14-10-25)49-29-17-21-31(22-18-29)51(47,48)32-23-19-30(20-24-32)50-28-15-11-26(12-16-28)42-39(45)35-7-3-4-8-36(35)40(42)46/h1-24H.

What are the key properties of 2-[4-[4-[4-[4-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]sulfonylphenoxy]phenyl]isoindole-1,3-dione?

2-[4-[4-[4-[4-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]sulfonylphenoxy]phenyl]isoindole-1,3-dione has a molecular weight of 692.71 g/mol, XLogP of 7.71, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[4-[4-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]sulfonylphenoxy]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 102305846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).