1-(benzenesulfonyl)pyrrolidin-2-one

C10H11NO3S — CID 667602

IUPAC1-(benzenesulfonyl)pyrrolidin-2-one
SMILESO=C1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H11NO3S/c12-10-7-4-8-11(10)15(13,14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyHRSUALBDOVEBRR-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.00
Rot. Bonds2

About 1-(benzenesulfonyl)pyrrolidin-2-one

1-(benzenesulfonyl)pyrrolidin-2-one (PubChem CID 667602) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(benzenesulfonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)pyrrolidin-2-one
PubChem CID667602
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name1-(benzenesulfonyl)pyrrolidin-2-one
SMILESO=C1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H11NO3S/c12-10-7-4-8-11(10)15(13,14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyHRSUALBDOVEBRR-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)pyrrolidin-2-one?
The IUPAC name of 1-(benzenesulfonyl)pyrrolidin-2-one (CID 667602) is 1-(benzenesulfonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(benzenesulfonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(benzenesulfonyl)pyrrolidin-2-one is O=C1CCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)pyrrolidin-2-one?
The InChIKey is HRSUALBDOVEBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-10-7-4-8-11(10)15(13,14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2.
What are the key properties of 1-(benzenesulfonyl)pyrrolidin-2-one?
1-(benzenesulfonyl)pyrrolidin-2-one has a molecular weight of 225.27 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)pyrrolidin-2-one is sourced from PubChem (CID 667602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).