1-(4-phenylphenyl)sulfonyl-5-propan-2-yloxypyrrolidin-2-one

C19H21NO4S — CID 3086717

IUPAC1-(4-phenylphenyl)sulfonyl-5-propan-2-yloxypyrrolidin-2-one
SMILESCC(C)OC1CCC(=O)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO4S/c1-14(2)24-19-13-12-18(21)20(19)25(22,23)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,19H,12-13H2,1-2H3
InChIKeyJHQBVDHIWKARRA-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.42
Rot. Bonds5

About 1-(4-phenylphenyl)sulfonyl-5-propan-2-yloxypyrrolidin-2-one

1-(4-phenylphenyl)sulfonyl-5-propan-2-yloxypyrrolidin-2-one (PubChem CID 3086717) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-(4-phenylphenyl)sulfonyl-5-propan-2-yloxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-phenylphenyl)sulfonyl-5-propan-2-yloxypyrrolidin-2-one
PubChem CID3086717
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name1-(4-phenylphenyl)sulfonyl-5-propan-2-yloxypyrrolidin-2-one
SMILESCC(C)OC1CCC(=O)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO4S/c1-14(2)24-19-13-12-18(21)20(19)25(22,23)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,19H,12-13H2,1-2H3
InChIKeyJHQBVDHIWKARRA-UHFFFAOYSA-N
XLogP3.42
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)sulfonyl-5-propan-2-yloxypyrrolidin-2-one?
The IUPAC name of 1-(4-phenylphenyl)sulfonyl-5-propan-2-yloxypyrrolidin-2-one (CID 3086717) is 1-(4-phenylphenyl)sulfonyl-5-propan-2-yloxypyrrolidin-2-one.
What is the SMILES notation for 1-(4-phenylphenyl)sulfonyl-5-propan-2-yloxypyrrolidin-2-one?
The canonical SMILES for 1-(4-phenylphenyl)sulfonyl-5-propan-2-yloxypyrrolidin-2-one is CC(C)OC1CCC(=O)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)sulfonyl-5-propan-2-yloxypyrrolidin-2-one?
The InChIKey is JHQBVDHIWKARRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-14(2)24-19-13-12-18(21)20(19)25(22,23)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,19H,12-13H2,1-2H3.
What are the key properties of 1-(4-phenylphenyl)sulfonyl-5-propan-2-yloxypyrrolidin-2-one?
1-(4-phenylphenyl)sulfonyl-5-propan-2-yloxypyrrolidin-2-one has a molecular weight of 359.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)sulfonyl-5-propan-2-yloxypyrrolidin-2-one is sourced from PubChem (CID 3086717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).