(2,5-dioxopyrrolidin-1-yl) 2,4,6-trichlorobenzenesulfonate

C10H6Cl3NO5S — CID 118292912

IUPAC(2,5-dioxopyrrolidin-1-yl) 2,4,6-trichlorobenzenesulfonate
SMILESO=C1CCC(=O)N1OS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H6Cl3NO5S/c11-5-3-6(12)10(7(13)4-5)20(17,18)19-14-8(15)1-2-9(14)16/h3-4H,1-2H2
InChIKeyDDISQGDTHAZWEE-UHFFFAOYSA-N
MW358.59 g/mol
LogP2.42
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) 2,4,6-trichlorobenzenesulfonate

(2,5-dioxopyrrolidin-1-yl) 2,4,6-trichlorobenzenesulfonate (PubChem CID 118292912) has the molecular formula C10H6Cl3NO5S and a molecular weight of 358.59 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2,4,6-trichlorobenzenesulfonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2,4,6-trichlorobenzenesulfonate
PubChem CID118292912
Molecular FormulaC10H6Cl3NO5S
Molecular Weight358.59 g/mol
Exact Mass356.90
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2,4,6-trichlorobenzenesulfonate
SMILESO=C1CCC(=O)N1OS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H6Cl3NO5S/c11-5-3-6(12)10(7(13)4-5)20(17,18)19-14-8(15)1-2-9(14)16/h3-4H,1-2H2
InChIKeyDDISQGDTHAZWEE-UHFFFAOYSA-N
XLogP2.42
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.59
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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) 2,4,6-trichlorobenzenesulfonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,4,6-trichlorobenzenesulfonate (CID 118292912) is (2,5-dioxopyrrolidin-1-yl) 2,4,6-trichlorobenzenesulfonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2,4,6-trichlorobenzenesulfonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2,4,6-trichlorobenzenesulfonate is O=C1CCC(=O)N1OS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2,4,6-trichlorobenzenesulfonate?
The InChIKey is DDISQGDTHAZWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3NO5S/c11-5-3-6(12)10(7(13)4-5)20(17,18)19-14-8(15)1-2-9(14)16/h3-4H,1-2H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2,4,6-trichlorobenzenesulfonate?
(2,5-dioxopyrrolidin-1-yl) 2,4,6-trichlorobenzenesulfonate has a molecular weight of 358.59 g/mol, XLogP of 2.42, 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) 2,4,6-trichlorobenzenesulfonate is sourced from PubChem (CID 118292912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).