2-(4-hydroxyphenyl)sulfonyloxy-1,3-dioxoisoindole-5-carboxylic acid

C15H9NO8S — CID 58288765

IUPAC2-(4-hydroxyphenyl)sulfonyloxy-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(OS(=O)(=O)c1ccc(O)cc1)C2=O
InChIInChI=1S/C15H9NO8S/c17-9-2-4-10(5-3-9)25(22,23)24-16-13(18)11-6-1-8(15(20)21)7-12(11)14(16)19/h1-7,17H,(H,20,21)
InChIKeyIIFRCRRSTZEJRD-UHFFFAOYSA-N
MW363.30 g/mol
LogP1.01
Rot. Bonds4

About 2-(4-hydroxyphenyl)sulfonyloxy-1,3-dioxoisoindole-5-carboxylic acid

2-(4-hydroxyphenyl)sulfonyloxy-1,3-dioxoisoindole-5-carboxylic acid (PubChem CID 58288765) has the molecular formula C15H9NO8S and a molecular weight of 363.30 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)sulfonyloxy-1,3-dioxoisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)sulfonyloxy-1,3-dioxoisoindole-5-carboxylic acid
PubChem CID58288765
Molecular FormulaC15H9NO8S
Molecular Weight363.30 g/mol
Exact Mass363.00
IUPAC Name2-(4-hydroxyphenyl)sulfonyloxy-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(OS(=O)(=O)c1ccc(O)cc1)C2=O
InChIInChI=1S/C15H9NO8S/c17-9-2-4-10(5-3-9)25(22,23)24-16-13(18)11-6-1-8(15(20)21)7-12(11)14(16)19/h1-7,17H,(H,20,21)
InChIKeyIIFRCRRSTZEJRD-UHFFFAOYSA-N
XLogP1.01
TPSA138.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(4-hydroxyphenyl)sulfonyloxy-1,3-dioxoisoindole-5-carboxylic acid?
The IUPAC name of 2-(4-hydroxyphenyl)sulfonyloxy-1,3-dioxoisoindole-5-carboxylic acid (CID 58288765) is 2-(4-hydroxyphenyl)sulfonyloxy-1,3-dioxoisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)sulfonyloxy-1,3-dioxoisoindole-5-carboxylic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)sulfonyloxy-1,3-dioxoisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)N(OS(=O)(=O)c1ccc(O)cc1)C2=O.
What is the InChIKey of 2-(4-hydroxyphenyl)sulfonyloxy-1,3-dioxoisoindole-5-carboxylic acid?
The InChIKey is IIFRCRRSTZEJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO8S/c17-9-2-4-10(5-3-9)25(22,23)24-16-13(18)11-6-1-8(15(20)21)7-12(11)14(16)19/h1-7,17H,(H,20,21).
What are the key properties of 2-(4-hydroxyphenyl)sulfonyloxy-1,3-dioxoisoindole-5-carboxylic acid?
2-(4-hydroxyphenyl)sulfonyloxy-1,3-dioxoisoindole-5-carboxylic acid has a molecular weight of 363.30 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)sulfonyloxy-1,3-dioxoisoindole-5-carboxylic acid is sourced from PubChem (CID 58288765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).