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

C26H26FNO3S — CID 149461341

IUPAC1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-(4-methylphenyl)phenyl]propan-1-one
SMILESCc1ccc(-c2cccc(CCC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C26H26FNO3S/c1-19-7-10-21(11-8-19)22-5-2-4-20(18-22)9-16-26(29)25-6-3-17-28(25)32(30,31)24-14-12-23(27)13-15-24/h2,4-5,7-8,10-15,18,25H,3,6,9,16-17H2,1H3/t25-/m0/s1
InChIKeyYZOOBURLWDFEQJ-VWLOTQADSA-N
MW451.56 g/mol
LogP5.16
Rot. Bonds7

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

1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-(4-methylphenyl)phenyl]propan-1-one (PubChem CID 149461341) has the molecular formula C26H26FNO3S and a molecular weight of 451.56 g/mol. Its IUPAC name is 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-(4-methylphenyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-(4-methylphenyl)phenyl]propan-1-one
PubChem CID149461341
Molecular FormulaC26H26FNO3S
Molecular Weight451.56 g/mol
Exact Mass451.16
IUPAC Name1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-(4-methylphenyl)phenyl]propan-1-one
SMILESCc1ccc(-c2cccc(CCC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C26H26FNO3S/c1-19-7-10-21(11-8-19)22-5-2-4-20(18-22)9-16-26(29)25-6-3-17-28(25)32(30,31)24-14-12-23(27)13-15-24/h2,4-5,7-8,10-15,18,25H,3,6,9,16-17H2,1H3/t25-/m0/s1
InChIKeyYZOOBURLWDFEQJ-VWLOTQADSA-N
XLogP5.16
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.56
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-(4-methylphenyl)phenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[4-[4-[3-(3,4-difluorophenyl)-2-oxopropyl]phenyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 59150882
(2S)-1-[4-[4-[3-(2,4-difluorophenyl)-2-oxopropyl]phenyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 59150962
2-[Bis(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidin-4-one
CID 91178153
2-[Bis(4-fluorophenyl)methyl]-1-(3-fluorophenyl)sulfonylpiperidin-4-one
CID 91408515
1-[1-(4-Fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2,3-trimethylbutan-1-one
CID 123479912
8-[4-(4-Fluorophenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-one
CID 130408516
8-[4-(2-Fluorophenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-one
CID 130408545
1-[4-(2-Fluorophenyl)phenyl]sulfonyl-2-methyl-6-propylpiperidin-4-one
CID 138514211
3-[3-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]-1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one
CID 147423774
1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-(2-methylphenyl)phenyl]propan-1-one
CID 147702160
3-[3-(4-chlorophenyl)phenyl]-1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one
CID 147968381
3-[3-(4-bromophenyl)phenyl]-1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one
CID 148623599

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-(4-methylphenyl)phenyl]propan-1-one?
The IUPAC name of 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-(4-methylphenyl)phenyl]propan-1-one (CID 149461341) is 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-(4-methylphenyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-(4-methylphenyl)phenyl]propan-1-one?
The canonical SMILES for 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-(4-methylphenyl)phenyl]propan-1-one is Cc1ccc(-c2cccc(CCC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2)cc1.
What is the InChIKey of 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-(4-methylphenyl)phenyl]propan-1-one?
The InChIKey is YZOOBURLWDFEQJ-VWLOTQADSA-N. The full InChI is InChI=1S/C26H26FNO3S/c1-19-7-10-21(11-8-19)22-5-2-4-20(18-22)9-16-26(29)25-6-3-17-28(25)32(30,31)24-14-12-23(27)13-15-24/h2,4-5,7-8,10-15,18,25H,3,6,9,16-17H2,1H3/t25-/m0/s1.
What are the key properties of 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-(4-methylphenyl)phenyl]propan-1-one?
1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-(4-methylphenyl)phenyl]propan-1-one has a molecular weight of 451.56 g/mol, XLogP of 5.16, 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-(4-methylphenyl)phenyl]propan-1-one is sourced from PubChem (CID 149461341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).