1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione

C14H16N2O4S — CID 804289

IUPAC1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C14H16N2O4S/c17-13-7-8-14(18)16(13)11-3-5-12(6-4-11)21(19,20)15-9-1-2-10-15/h3-6H,1-2,7-10H2
InChIKeyUKONQDDTVSQXGO-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.12
Rot. Bonds3

About 1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione

1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione (PubChem CID 804289) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione
PubChem CID804289
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C14H16N2O4S/c17-13-7-8-14(18)16(13)11-3-5-12(6-4-11)21(19,20)15-9-1-2-10-15/h3-6H,1-2,7-10H2
InChIKeyUKONQDDTVSQXGO-UHFFFAOYSA-N
XLogP1.12
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione (CID 804289) is 1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione?
The InChIKey is UKONQDDTVSQXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-13-7-8-14(18)16(13)11-3-5-12(6-4-11)21(19,20)15-9-1-2-10-15/h3-6H,1-2,7-10H2.
What are the key properties of 1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione?
1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione has a molecular weight of 308.36 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 804289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).