3-benzyl-3-(difluoromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one

C19H19F2NO3S — CID 71492269

IUPAC3-benzyl-3-(difluoromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)(C(F)F)C2=O)cc1
InChIInChI=1S/C19H19F2NO3S/c1-14-7-9-16(10-8-14)26(24,25)22-12-11-19(17(20)21,18(22)23)13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3
InChIKeyGJHNYAZVIIJZEW-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.41
Rot. Bonds5

About 3-benzyl-3-(difluoromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one

3-benzyl-3-(difluoromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one (PubChem CID 71492269) has the molecular formula C19H19F2NO3S and a molecular weight of 379.43 g/mol. Its IUPAC name is 3-benzyl-3-(difluoromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name3-benzyl-3-(difluoromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
PubChem CID71492269
Molecular FormulaC19H19F2NO3S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Name3-benzyl-3-(difluoromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)(C(F)F)C2=O)cc1
InChIInChI=1S/C19H19F2NO3S/c1-14-7-9-16(10-8-14)26(24,25)22-12-11-19(17(20)21,18(22)23)13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3
InChIKeyGJHNYAZVIIJZEW-UHFFFAOYSA-N
XLogP3.41
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenyl-1-(phenylsulfonyl)pyrrolidin-2-one
CID 3930754
4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide
CID 3156904
N,N-diethyl-5-(4-(N-methyl-4-(trifluoromethyl)phenylsulfonamido)cyclohexyl)pentanamide
CID 44571108
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-5-phenylpentanamide
CID 118398443
N-methyl-N-[2-[4-(methylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide
CID 142727579
N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-ethyl-5-phenylpentanamide
CID 142727594
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-methyl-5-phenylpentanamide
CID 142727596
N,N-dimethyl-4-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide
CID 142727599
N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-methyl-5-phenylpentanamide
CID 142727622
N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide
CID 142727630
4-[4-(dimethylsulfamoyl)phenyl]-N-methyl-N-(3-phenylpropyl)butanamide
CID 144925787
1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 40219765

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-(difluoromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The IUPAC name of 3-benzyl-3-(difluoromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one (CID 71492269) is 3-benzyl-3-(difluoromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one.
What is the SMILES notation for 3-benzyl-3-(difluoromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The canonical SMILES for 3-benzyl-3-(difluoromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one is Cc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)(C(F)F)C2=O)cc1.
What is the InChIKey of 3-benzyl-3-(difluoromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The InChIKey is GJHNYAZVIIJZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3S/c1-14-7-9-16(10-8-14)26(24,25)22-12-11-19(17(20)21,18(22)23)13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3.
What are the key properties of 3-benzyl-3-(difluoromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
3-benzyl-3-(difluoromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one has a molecular weight of 379.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-(difluoromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one is sourced from PubChem (CID 71492269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).