1-(benzenesulfonyl)-4-phenylpyrrolidin-2-one

C16H15NO3S — CID 3930754

IUPAC1-(benzenesulfonyl)-4-phenylpyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H15NO3S/c18-16-11-14(13-7-3-1-4-8-13)12-17(16)21(19,20)15-9-5-2-6-10-15/h1-10,14H,11-12H2
InChIKeyAKKRFOUSRNAOTL-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.39
Rot. Bonds3

About 1-(benzenesulfonyl)-4-phenylpyrrolidin-2-one

1-(benzenesulfonyl)-4-phenylpyrrolidin-2-one (PubChem CID 3930754) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-phenylpyrrolidin-2-one
PubChem CID3930754
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name1-(benzenesulfonyl)-4-phenylpyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H15NO3S/c18-16-11-14(13-7-3-1-4-8-13)12-17(16)21(19,20)15-9-5-2-6-10-15/h1-10,14H,11-12H2
InChIKeyAKKRFOUSRNAOTL-UHFFFAOYSA-N
XLogP2.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-phenylpyrrolidin-2-one?
The IUPAC name of 1-(benzenesulfonyl)-4-phenylpyrrolidin-2-one (CID 3930754) is 1-(benzenesulfonyl)-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-(benzenesulfonyl)-4-phenylpyrrolidin-2-one?
The canonical SMILES for 1-(benzenesulfonyl)-4-phenylpyrrolidin-2-one is O=C1CC(c2ccccc2)CN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-4-phenylpyrrolidin-2-one?
The InChIKey is AKKRFOUSRNAOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c18-16-11-14(13-7-3-1-4-8-13)12-17(16)21(19,20)15-9-5-2-6-10-15/h1-10,14H,11-12H2.
What are the key properties of 1-(benzenesulfonyl)-4-phenylpyrrolidin-2-one?
1-(benzenesulfonyl)-4-phenylpyrrolidin-2-one has a molecular weight of 301.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 3930754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).