1-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid;1-hydroxypyrrolidine-2,5-dione;thionyl dichloride

C8H10Cl2N2O10S2 — CID 87354464

IUPAC1-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid;1-hydroxypyrrolidine-2,5-dione;thionyl dichloride
SMILESO=C1CC(S(=O)(=O)O)C(=O)N1O.O=C1CCC(=O)N1O.O=S(Cl)Cl
InChIInChI=1S/C4H5NO6S.C4H5NO3.Cl2OS/c6-3-1-2(12(9,10)11)4(7)5(3)8;6-3-1-2-4(7)5(3)8;1-4(2)3/h2,8H,1H2,(H,9,10,11);8H,1-2H2;
InChIKeyXVPOVZKQEAHLNY-UHFFFAOYSA-N
MW429.21 g/mol
LogP-1.04
Rot. Bonds1

About 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid;1-hydroxypyrrolidine-2,5-dione;thionyl dichloride

1-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid;1-hydroxypyrrolidine-2,5-dione;thionyl dichloride (PubChem CID 87354464) has the molecular formula C8H10Cl2N2O10S2 and a molecular weight of 429.21 g/mol. Its IUPAC name is 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid;1-hydroxypyrrolidine-2,5-dione;thionyl dichloride.

Molecular Properties

Compound Name1-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid;1-hydroxypyrrolidine-2,5-dione;thionyl dichloride
PubChem CID87354464
Molecular FormulaC8H10Cl2N2O10S2
Molecular Weight429.21 g/mol
Exact Mass427.92
IUPAC Name1-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid;1-hydroxypyrrolidine-2,5-dione;thionyl dichloride
SMILESO=C1CC(S(=O)(=O)O)C(=O)N1O.O=C1CCC(=O)N1O.O=S(Cl)Cl
InChIInChI=1S/C4H5NO6S.C4H5NO3.Cl2OS/c6-3-1-2(12(9,10)11)4(7)5(3)8;6-3-1-2-4(7)5(3)8;1-4(2)3/h2,8H,1H2,(H,9,10,11);8H,1-2H2;
InChIKeyXVPOVZKQEAHLNY-UHFFFAOYSA-N
XLogP-1.04
TPSA186.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.21
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid;1-hydroxypyrrolidine-2,5-dione;thionyl dichloride?
The IUPAC name of 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid;1-hydroxypyrrolidine-2,5-dione;thionyl dichloride (CID 87354464) is 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid;1-hydroxypyrrolidine-2,5-dione;thionyl dichloride.
What is the SMILES notation for 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid;1-hydroxypyrrolidine-2,5-dione;thionyl dichloride?
The canonical SMILES for 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid;1-hydroxypyrrolidine-2,5-dione;thionyl dichloride is O=C1CC(S(=O)(=O)O)C(=O)N1O.O=C1CCC(=O)N1O.O=S(Cl)Cl.
What is the InChIKey of 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid;1-hydroxypyrrolidine-2,5-dione;thionyl dichloride?
The InChIKey is XVPOVZKQEAHLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO6S.C4H5NO3.Cl2OS/c6-3-1-2(12(9,10)11)4(7)5(3)8;6-3-1-2-4(7)5(3)8;1-4(2)3/h2,8H,1H2,(H,9,10,11);8H,1-2H2;.
What are the key properties of 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid;1-hydroxypyrrolidine-2,5-dione;thionyl dichloride?
1-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid;1-hydroxypyrrolidine-2,5-dione;thionyl dichloride has a molecular weight of 429.21 g/mol, XLogP of -1.04, 1 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid;1-hydroxypyrrolidine-2,5-dione;thionyl dichloride is sourced from PubChem (CID 87354464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).