(2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzenesulfonate

C10H7F2NO5S — CID 23082541

IUPAC(2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzenesulfonate
SMILESO=C1CCC(=O)N1OS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H7F2NO5S/c11-6-1-2-8(7(12)5-6)19(16,17)18-13-9(14)3-4-10(13)15/h1-2,5H,3-4H2
InChIKeyDQXGVMHZIIHWBY-UHFFFAOYSA-N
MW291.23 g/mol
LogP0.73
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzenesulfonate

(2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzenesulfonate (PubChem CID 23082541) has the molecular formula C10H7F2NO5S and a molecular weight of 291.23 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzenesulfonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzenesulfonate
PubChem CID23082541
Molecular FormulaC10H7F2NO5S
Molecular Weight291.23 g/mol
Exact Mass291.00
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzenesulfonate
SMILESO=C1CCC(=O)N1OS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H7F2NO5S/c11-6-1-2-8(7(12)5-6)19(16,17)18-13-9(14)3-4-10(13)15/h1-2,5H,3-4H2
InChIKeyDQXGVMHZIIHWBY-UHFFFAOYSA-N
XLogP0.73
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-Pyrrolidinedione, 1-(phenylsulfonyl)-
CID 555214
2,5-Pyrrolidinedione, 1-[(phenylsulfonyl)oxy]-
CID 9816501
2,5-Dioxopyrrolidin-1-yl 3-(trifluoromethyl)benzenesulfonate
CID 155926217
(3,4-Dimethyl-2,5-dioxopyrrol-1-yl) 4-fluorobenzenesulfonate
CID 20671175
(2,5-Dioxopyrrolidin-1-yl) 4-fluorobenzenesulfonate
CID 21930767
(2,5-Dioxopyrrolidin-1-yl) 2-(trifluoromethyl)benzenesulfonate
CID 21930784
(2,5-Dioxopyrrolidin-1-yl) 2,3,4,5,6-pentafluorobenzenesulfonate
CID 21954580
(2,5-Dioxopyrrolidin-1-yl) 4-(trifluoromethyl)benzenesulfonate
CID 21954582
Succinimide benzenesulfonate
CID 21954655
(1,3-Dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl) 2,4-difluorobenzenesulfonate
CID 89246845
(2,5-Dioxopyrrolidin-1-yl) 2,4,6-trifluorobenzenesulfonate
CID 118292918
(3,3,4,4-Tetrafluoro-2,5-dioxopyrrolidin-1-yl) 4-(trifluoromethyl)benzenesulfonate
CID 139963060

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzenesulfonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzenesulfonate (CID 23082541) is (2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzenesulfonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzenesulfonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzenesulfonate is O=C1CCC(=O)N1OS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzenesulfonate?
The InChIKey is DQXGVMHZIIHWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO5S/c11-6-1-2-8(7(12)5-6)19(16,17)18-13-9(14)3-4-10(13)15/h1-2,5H,3-4H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzenesulfonate?
(2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzenesulfonate has a molecular weight of 291.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzenesulfonate is sourced from PubChem (CID 23082541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).