3,3-diphenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one

C23H18F3NO3S — CID 67358907

IUPAC3,3-diphenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one
SMILESO=C1N(S(=O)(=O)c2ccccc2C(F)(F)F)CCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18F3NO3S/c24-23(25,26)19-13-7-8-14-20(19)31(29,30)27-16-15-22(21(27)28,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyUZQXYAFVSPWBNQ-UHFFFAOYSA-N
MW445.46 g/mol
LogP4.61
Rot. Bonds4

About 3,3-diphenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one

3,3-diphenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one (PubChem CID 67358907) has the molecular formula C23H18F3NO3S and a molecular weight of 445.46 g/mol. Its IUPAC name is 3,3-diphenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name3,3-diphenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one
PubChem CID67358907
Molecular FormulaC23H18F3NO3S
Molecular Weight445.46 g/mol
Exact Mass445.10
IUPAC Name3,3-diphenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one
SMILESO=C1N(S(=O)(=O)c2ccccc2C(F)(F)F)CCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18F3NO3S/c24-23(25,26)19-13-7-8-14-20(19)31(29,30)27-16-15-22(21(27)28,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyUZQXYAFVSPWBNQ-UHFFFAOYSA-N
XLogP4.61
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-2-methylpropanoic acid
CID 132972742
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 2487327
(3R,4S)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-3,4-diol
CID 79410488
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394304
8-[2-(trifluoromethyl)phenyl]sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 91116804
[3-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine
CID 120777370
2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 65460546
(3S,4R)-4-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine
CID 120767028
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 43605303
3-bromo-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 80667317
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
CID 60956912
(3S,4S)-3-hydroxy-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 135116728

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one?
The IUPAC name of 3,3-diphenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one (CID 67358907) is 3,3-diphenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one.
What is the SMILES notation for 3,3-diphenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one?
The canonical SMILES for 3,3-diphenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one is O=C1N(S(=O)(=O)c2ccccc2C(F)(F)F)CCC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one?
The InChIKey is UZQXYAFVSPWBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3NO3S/c24-23(25,26)19-13-7-8-14-20(19)31(29,30)27-16-15-22(21(27)28,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H,15-16H2.
What are the key properties of 3,3-diphenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one?
3,3-diphenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one has a molecular weight of 445.46 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one is sourced from PubChem (CID 67358907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).