1-(benzenesulfonyl)pyrrolidin-3-one

C10H11NO3S — CID 535752

IUPAC1-(benzenesulfonyl)pyrrolidin-3-one
SMILESO=C1CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C10H11NO3S/c12-9-6-7-11(8-9)15(13,14)10-4-2-1-3-5-10/h1-5H,6-8H2
InChIKeyOGFOXOITXTWQJM-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.65
Rot. Bonds2

About 1-(benzenesulfonyl)pyrrolidin-3-one

1-(benzenesulfonyl)pyrrolidin-3-one (PubChem CID 535752) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(benzenesulfonyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)pyrrolidin-3-one
PubChem CID535752
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name1-(benzenesulfonyl)pyrrolidin-3-one
SMILESO=C1CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C10H11NO3S/c12-9-6-7-11(8-9)15(13,14)10-4-2-1-3-5-10/h1-5H,6-8H2
InChIKeyOGFOXOITXTWQJM-UHFFFAOYSA-N
XLogP0.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)pyrrolidin-3-one?
The IUPAC name of 1-(benzenesulfonyl)pyrrolidin-3-one (CID 535752) is 1-(benzenesulfonyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(benzenesulfonyl)pyrrolidin-3-one?
The canonical SMILES for 1-(benzenesulfonyl)pyrrolidin-3-one is O=C1CCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)pyrrolidin-3-one?
The InChIKey is OGFOXOITXTWQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-9-6-7-11(8-9)15(13,14)10-4-2-1-3-5-10/h1-5H,6-8H2.
What are the key properties of 1-(benzenesulfonyl)pyrrolidin-3-one?
1-(benzenesulfonyl)pyrrolidin-3-one has a molecular weight of 225.27 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)pyrrolidin-3-one is sourced from PubChem (CID 535752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).