5-oxo-1-[2-(4-phenylphenyl)ethyl]pyrrolidine-3-sulfonyl fluoride

C18H18FNO3S — CID 168714876

IUPAC5-oxo-1-[2-(4-phenylphenyl)ethyl]pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18FNO3S/c19-24(22,23)17-12-18(21)20(13-17)11-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17H,10-13H2
InChIKeyFVVOYSCGYBCAGS-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.80
Rot. Bonds5

About 5-oxo-1-[2-(4-phenylphenyl)ethyl]pyrrolidine-3-sulfonyl fluoride

5-oxo-1-[2-(4-phenylphenyl)ethyl]pyrrolidine-3-sulfonyl fluoride (PubChem CID 168714876) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is 5-oxo-1-[2-(4-phenylphenyl)ethyl]pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-[2-(4-phenylphenyl)ethyl]pyrrolidine-3-sulfonyl fluoride
PubChem CID168714876
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name5-oxo-1-[2-(4-phenylphenyl)ethyl]pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18FNO3S/c19-24(22,23)17-12-18(21)20(13-17)11-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17H,10-13H2
InChIKeyFVVOYSCGYBCAGS-UHFFFAOYSA-N
XLogP2.80
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[2-(4-phenylphenyl)ethyl]pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-[2-(4-phenylphenyl)ethyl]pyrrolidine-3-sulfonyl fluoride (CID 168714876) is 5-oxo-1-[2-(4-phenylphenyl)ethyl]pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-[2-(4-phenylphenyl)ethyl]pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-[2-(4-phenylphenyl)ethyl]pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-oxo-1-[2-(4-phenylphenyl)ethyl]pyrrolidine-3-sulfonyl fluoride?
The InChIKey is FVVOYSCGYBCAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c19-24(22,23)17-12-18(21)20(13-17)11-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17H,10-13H2.
What are the key properties of 5-oxo-1-[2-(4-phenylphenyl)ethyl]pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-[2-(4-phenylphenyl)ethyl]pyrrolidine-3-sulfonyl fluoride has a molecular weight of 347.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[2-(4-phenylphenyl)ethyl]pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).