5-ethoxy-1-(4-phenylphenyl)sulfonylpyrrolidin-2-one

C18H19NO4S — CID 3086712

IUPAC5-ethoxy-1-(4-phenylphenyl)sulfonylpyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO4S/c1-2-23-18-13-12-17(20)19(18)24(21,22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3
InChIKeyQMMGIQHZVHQPFD-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.03
Rot. Bonds5

About 5-ethoxy-1-(4-phenylphenyl)sulfonylpyrrolidin-2-one

5-ethoxy-1-(4-phenylphenyl)sulfonylpyrrolidin-2-one (PubChem CID 3086712) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 5-ethoxy-1-(4-phenylphenyl)sulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name5-ethoxy-1-(4-phenylphenyl)sulfonylpyrrolidin-2-one
PubChem CID3086712
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name5-ethoxy-1-(4-phenylphenyl)sulfonylpyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO4S/c1-2-23-18-13-12-17(20)19(18)24(21,22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3
InChIKeyQMMGIQHZVHQPFD-UHFFFAOYSA-N
XLogP3.03
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(4-phenylphenyl)sulfonylpyrrolidin-2-one?
The IUPAC name of 5-ethoxy-1-(4-phenylphenyl)sulfonylpyrrolidin-2-one (CID 3086712) is 5-ethoxy-1-(4-phenylphenyl)sulfonylpyrrolidin-2-one.
What is the SMILES notation for 5-ethoxy-1-(4-phenylphenyl)sulfonylpyrrolidin-2-one?
The canonical SMILES for 5-ethoxy-1-(4-phenylphenyl)sulfonylpyrrolidin-2-one is CCOC1CCC(=O)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-ethoxy-1-(4-phenylphenyl)sulfonylpyrrolidin-2-one?
The InChIKey is QMMGIQHZVHQPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-2-23-18-13-12-17(20)19(18)24(21,22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3.
What are the key properties of 5-ethoxy-1-(4-phenylphenyl)sulfonylpyrrolidin-2-one?
5-ethoxy-1-(4-phenylphenyl)sulfonylpyrrolidin-2-one has a molecular weight of 345.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(4-phenylphenyl)sulfonylpyrrolidin-2-one is sourced from PubChem (CID 3086712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).