5-hydroxy-2-[3-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]isoindole-1,3-dione

C26H17NO7S — CID 67886506

IUPAC5-hydroxy-2-[3-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccc(O)cc2C(=O)N1c1cccc(Oc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)c1
InChIInChI=1S/C26H17NO7S/c28-17-4-9-21(10-5-17)35(32,33)22-11-7-19(8-12-22)34-20-3-1-2-16(14-20)27-25(30)23-13-6-18(29)15-24(23)26(27)31/h1-15,28-29H
InChIKeyYGIWQVAYMCVNHV-UHFFFAOYSA-N
MW487.49 g/mol
LogP4.52
Rot. Bonds5

About 5-hydroxy-2-[3-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]isoindole-1,3-dione

5-hydroxy-2-[3-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]isoindole-1,3-dione (PubChem CID 67886506) has the molecular formula C26H17NO7S and a molecular weight of 487.49 g/mol. Its IUPAC name is 5-hydroxy-2-[3-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-hydroxy-2-[3-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]isoindole-1,3-dione
PubChem CID67886506
Molecular FormulaC26H17NO7S
Molecular Weight487.49 g/mol
Exact Mass487.07
IUPAC Name5-hydroxy-2-[3-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccc(O)cc2C(=O)N1c1cccc(Oc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)c1
InChIInChI=1S/C26H17NO7S/c28-17-4-9-21(10-5-17)35(32,33)22-11-7-19(8-12-22)34-20-3-1-2-16(14-20)27-25(30)23-13-6-18(29)15-24(23)26(27)31/h1-15,28-29H
InChIKeyYGIWQVAYMCVNHV-UHFFFAOYSA-N
XLogP4.52
TPSA121.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione
CID 17386922
4-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid
CID 4124462
2-(3-phenoxyphenyl)isoindole-1,3-dione
CID 3091542
4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209
2-methyl-5-[2-[4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 67472814
5-nitro-2-[4-[4-[4-[4-(5-nitro-1,3-dioxoisoindol-2-yl)phenoxy]phenyl]sulfonylphenoxy]phenyl]isoindole-1,3-dione
CID 3108370
4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol
CID 155639778
4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol
CID 90321363
2-[3-(4-nitrophenoxy)phenyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 1365686
5-methyl-2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]isoindole-1,3-dione
CID 90304687
2-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-5-nitroisoindole-1,3-dione
CID 1132321
2-[3-(1-hydroxy-3-oxo-6-phenoxy-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
CID 142393891

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[3-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]isoindole-1,3-dione?
The IUPAC name of 5-hydroxy-2-[3-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]isoindole-1,3-dione (CID 67886506) is 5-hydroxy-2-[3-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 5-hydroxy-2-[3-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]isoindole-1,3-dione?
The canonical SMILES for 5-hydroxy-2-[3-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]isoindole-1,3-dione is O=C1c2ccc(O)cc2C(=O)N1c1cccc(Oc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)c1.
What is the InChIKey of 5-hydroxy-2-[3-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]isoindole-1,3-dione?
The InChIKey is YGIWQVAYMCVNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NO7S/c28-17-4-9-21(10-5-17)35(32,33)22-11-7-19(8-12-22)34-20-3-1-2-16(14-20)27-25(30)23-13-6-18(29)15-24(23)26(27)31/h1-15,28-29H.
What are the key properties of 5-hydroxy-2-[3-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]isoindole-1,3-dione?
5-hydroxy-2-[3-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]isoindole-1,3-dione has a molecular weight of 487.49 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[3-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 67886506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).