3-(benzenesulfonyl)pyrrolidin-2-one

C10H11NO3S — CID 141214960

IUPAC3-(benzenesulfonyl)pyrrolidin-2-one
SMILESO=C1NCCC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H11NO3S/c12-10-9(6-7-11-10)15(13,14)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
InChIKeyGMAAQWNKKCGLRB-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.35
Rot. Bonds2

About 3-(benzenesulfonyl)pyrrolidin-2-one

3-(benzenesulfonyl)pyrrolidin-2-one (PubChem CID 141214960) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-(benzenesulfonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)pyrrolidin-2-one
PubChem CID141214960
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name3-(benzenesulfonyl)pyrrolidin-2-one
SMILESO=C1NCCC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H11NO3S/c12-10-9(6-7-11-10)15(13,14)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
InChIKeyGMAAQWNKKCGLRB-UHFFFAOYSA-N
XLogP0.35
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)pyrrolidin-2-one?
The IUPAC name of 3-(benzenesulfonyl)pyrrolidin-2-one (CID 141214960) is 3-(benzenesulfonyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)pyrrolidin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)pyrrolidin-2-one is O=C1NCCC1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)pyrrolidin-2-one?
The InChIKey is GMAAQWNKKCGLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-10-9(6-7-11-10)15(13,14)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12).
What are the key properties of 3-(benzenesulfonyl)pyrrolidin-2-one?
3-(benzenesulfonyl)pyrrolidin-2-one has a molecular weight of 225.27 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)pyrrolidin-2-one is sourced from PubChem (CID 141214960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).