(2,5-dioxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)acetate

C12H10FNO7S — CID 165111718

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)acetate
SMILESO=C(Cc1ccc(OS(=O)(=O)F)cc1)ON1C(=O)CCC1=O
InChIInChI=1S/C12H10FNO7S/c13-22(18,19)21-9-3-1-8(2-4-9)7-12(17)20-14-10(15)5-6-11(14)16/h1-4H,5-7H2
InChIKeyBMCGGRGUERRHSE-UHFFFAOYSA-N
MW331.28 g/mol
LogP0.43
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)acetate

(2,5-dioxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)acetate (PubChem CID 165111718) has the molecular formula C12H10FNO7S and a molecular weight of 331.28 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)acetate
PubChem CID165111718
Molecular FormulaC12H10FNO7S
Molecular Weight331.28 g/mol
Exact Mass331.02
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)acetate
SMILESO=C(Cc1ccc(OS(=O)(=O)F)cc1)ON1C(=O)CCC1=O
InChIInChI=1S/C12H10FNO7S/c13-22(18,19)21-9-3-1-8(2-4-9)7-12(17)20-14-10(15)5-6-11(14)16/h1-4H,5-7H2
InChIKeyBMCGGRGUERRHSE-UHFFFAOYSA-N
XLogP0.43
TPSA107.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 50.43
H-Bond Donors ≤ 50
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 (2,5-dioxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)acetate (CID 165111718) is (2,5-dioxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)acetate is O=C(Cc1ccc(OS(=O)(=O)F)cc1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)acetate?
The InChIKey is BMCGGRGUERRHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO7S/c13-22(18,19)21-9-3-1-8(2-4-9)7-12(17)20-14-10(15)5-6-11(14)16/h1-4H,5-7H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)acetate?
(2,5-dioxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)acetate has a molecular weight of 331.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)acetate is sourced from PubChem (CID 165111718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).