1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylphenyl)propan-1-one

C25H24FNO3S — CID 158366336

IUPAC1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylphenyl)propan-1-one
SMILESO=C(CCc1cccc(-c2ccccc2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H24FNO3S/c26-22-12-14-23(15-13-22)31(29,30)27-17-5-10-24(27)25(28)16-11-19-6-4-9-21(18-19)20-7-2-1-3-8-20/h1-4,6-9,12-15,18,24H,5,10-11,16-17H2/t24-/m0/s1
InChIKeyGUBPMMRTBPFKPP-DEOSSOPVSA-N
MW437.54 g/mol
LogP4.85
Rot. Bonds7

About 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylphenyl)propan-1-one

1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylphenyl)propan-1-one (PubChem CID 158366336) has the molecular formula C25H24FNO3S and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylphenyl)propan-1-one
PubChem CID158366336
Molecular FormulaC25H24FNO3S
Molecular Weight437.54 g/mol
Exact Mass437.15
IUPAC Name1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylphenyl)propan-1-one
SMILESO=C(CCc1cccc(-c2ccccc2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H24FNO3S/c26-22-12-14-23(15-13-22)31(29,30)27-17-5-10-24(27)25(28)16-11-19-6-4-9-21(18-19)20-7-2-1-3-8-20/h1-4,6-9,12-15,18,24H,5,10-11,16-17H2/t24-/m0/s1
InChIKeyGUBPMMRTBPFKPP-DEOSSOPVSA-N
XLogP4.85
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylphenyl)propan-1-one?
The IUPAC name of 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylphenyl)propan-1-one (CID 158366336) is 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylphenyl)propan-1-one.
What is the SMILES notation for 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylphenyl)propan-1-one?
The canonical SMILES for 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylphenyl)propan-1-one is O=C(CCc1cccc(-c2ccccc2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylphenyl)propan-1-one?
The InChIKey is GUBPMMRTBPFKPP-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H24FNO3S/c26-22-12-14-23(15-13-22)31(29,30)27-17-5-10-24(27)25(28)16-11-19-6-4-9-21(18-19)20-7-2-1-3-8-20/h1-4,6-9,12-15,18,24H,5,10-11,16-17H2/t24-/m0/s1.
What are the key properties of 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylphenyl)propan-1-one?
1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylphenyl)propan-1-one has a molecular weight of 437.54 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylphenyl)propan-1-one is sourced from PubChem (CID 158366336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).