5-(4-methylphenyl)sulfonylpyrrolidin-2-one

C11H13NO3S — CID 121218509

IUPAC5-(4-methylphenyl)sulfonylpyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)C2CCC(=O)N2)cc1
InChIInChI=1S/C11H13NO3S/c1-8-2-4-9(5-3-8)16(14,15)11-7-6-10(13)12-11/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKeyHBVTUHKUPMJYMD-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.00
Rot. Bonds2

About 5-(4-methylphenyl)sulfonylpyrrolidin-2-one

5-(4-methylphenyl)sulfonylpyrrolidin-2-one (PubChem CID 121218509) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfonylpyrrolidin-2-one
PubChem CID121218509
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name5-(4-methylphenyl)sulfonylpyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)C2CCC(=O)N2)cc1
InChIInChI=1S/C11H13NO3S/c1-8-2-4-9(5-3-8)16(14,15)11-7-6-10(13)12-11/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKeyHBVTUHKUPMJYMD-UHFFFAOYSA-N
XLogP1.00
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The IUPAC name of 5-(4-methylphenyl)sulfonylpyrrolidin-2-one (CID 121218509) is 5-(4-methylphenyl)sulfonylpyrrolidin-2-one.
What is the SMILES notation for 5-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The canonical SMILES for 5-(4-methylphenyl)sulfonylpyrrolidin-2-one is Cc1ccc(S(=O)(=O)C2CCC(=O)N2)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The InChIKey is HBVTUHKUPMJYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-8-2-4-9(5-3-8)16(14,15)11-7-6-10(13)12-11/h2-5,11H,6-7H2,1H3,(H,12,13).
What are the key properties of 5-(4-methylphenyl)sulfonylpyrrolidin-2-one?
5-(4-methylphenyl)sulfonylpyrrolidin-2-one has a molecular weight of 239.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfonylpyrrolidin-2-one is sourced from PubChem (CID 121218509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).