1-[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl]pyrrolidin-2-one

C14H19NO4S — CID 2726011

IUPAC1-[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl]pyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)CC(O)CN2CCCC2=O)cc1
InChIInChI=1S/C14H19NO4S/c1-11-4-6-13(7-5-11)20(18,19)10-12(16)9-15-8-2-3-14(15)17/h4-7,12,16H,2-3,8-10H2,1H3
InChIKeyRNNIWFNKQRKRJA-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.75
Rot. Bonds5

About 1-[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl]pyrrolidin-2-one

1-[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl]pyrrolidin-2-one (PubChem CID 2726011) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl]pyrrolidin-2-one
PubChem CID2726011
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name1-[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl]pyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)CC(O)CN2CCCC2=O)cc1
InChIInChI=1S/C14H19NO4S/c1-11-4-6-13(7-5-11)20(18,19)10-12(16)9-15-8-2-3-14(15)17/h4-7,12,16H,2-3,8-10H2,1H3
InChIKeyRNNIWFNKQRKRJA-UHFFFAOYSA-N
XLogP0.75
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl]pyrrolidin-2-one (CID 2726011) is 1-[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl]pyrrolidin-2-one is Cc1ccc(S(=O)(=O)CC(O)CN2CCCC2=O)cc1.
What is the InChIKey of 1-[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl]pyrrolidin-2-one?
The InChIKey is RNNIWFNKQRKRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-11-4-6-13(7-5-11)20(18,19)10-12(16)9-15-8-2-3-14(15)17/h4-7,12,16H,2-3,8-10H2,1H3.
What are the key properties of 1-[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl]pyrrolidin-2-one?
1-[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl]pyrrolidin-2-one has a molecular weight of 297.38 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl]pyrrolidin-2-one is sourced from PubChem (CID 2726011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).