1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one

C14H19NO3S — CID 19811007

IUPAC1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCCC2=O)cc1
InChIInChI=1S/C14H19NO3S/c1-14(2,3)11-6-8-12(9-7-11)19(17,18)15-10-4-5-13(15)16/h6-9H,4-5,10H2,1-3H3
InChIKeyUWEBEZOCIHNCHV-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.30
Rot. Bonds2

About 1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one

1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one (PubChem CID 19811007) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one
PubChem CID19811007
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCCC2=O)cc1
InChIInChI=1S/C14H19NO3S/c1-14(2,3)11-6-8-12(9-7-11)19(17,18)15-10-4-5-13(15)16/h6-9H,4-5,10H2,1-3H3
InChIKeyUWEBEZOCIHNCHV-UHFFFAOYSA-N
XLogP2.30
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one (CID 19811007) is 1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one is CC(C)(C)c1ccc(S(=O)(=O)N2CCCC2=O)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one?
The InChIKey is UWEBEZOCIHNCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-14(2,3)11-6-8-12(9-7-11)19(17,18)15-10-4-5-13(15)16/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one?
1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one has a molecular weight of 281.38 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one is sourced from PubChem (CID 19811007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).