1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one

C11H13NO4S — CID 3086715

IUPAC1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one
SMILESCOC1CCC(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H13NO4S/c1-16-11-8-7-10(13)12(11)17(14,15)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyHASBQZOQAQDOOU-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.97
Rot. Bonds3

About 1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one

1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one (PubChem CID 3086715) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one
PubChem CID3086715
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one
SMILESCOC1CCC(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H13NO4S/c1-16-11-8-7-10(13)12(11)17(14,15)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyHASBQZOQAQDOOU-UHFFFAOYSA-N
XLogP0.97
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one?
The IUPAC name of 1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one (CID 3086715) is 1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one.
What is the SMILES notation for 1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one?
The canonical SMILES for 1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one is COC1CCC(=O)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one?
The InChIKey is HASBQZOQAQDOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-16-11-8-7-10(13)12(11)17(14,15)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one?
1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one has a molecular weight of 255.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one is sourced from PubChem (CID 3086715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).