(3R)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one

C23H20FNO3S — CID 155937095

IUPAC(3R)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one
SMILESC[C@]1(S(=O)(=O)c2ccc(F)cc2)C(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C23H20FNO3S/c1-23(29(27,28)20-14-12-19(24)13-15-20)21(18-10-6-3-7-11-18)25(22(23)26)16-17-8-4-2-5-9-17/h2-15,21H,16H2,1H3/t21?,23-/m1/s1
InChIKeyQCXMAZQXCKRMKI-JFGZAKSSSA-N
MW409.48 g/mol
LogP4.14
Rot. Bonds5

About (3R)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one

(3R)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one (PubChem CID 155937095) has the molecular formula C23H20FNO3S and a molecular weight of 409.48 g/mol. Its IUPAC name is (3R)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one
PubChem CID155937095
Molecular FormulaC23H20FNO3S
Molecular Weight409.48 g/mol
Exact Mass409.11
IUPAC Name(3R)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one
SMILESC[C@]1(S(=O)(=O)c2ccc(F)cc2)C(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C23H20FNO3S/c1-23(29(27,28)20-14-12-19(24)13-15-20)21(18-10-6-3-7-11-18)25(22(23)26)16-17-8-4-2-5-9-17/h2-15,21H,16H2,1H3/t21?,23-/m1/s1
InChIKeyQCXMAZQXCKRMKI-JFGZAKSSSA-N
XLogP4.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-Benzyl-4-oxo-azetidine-1-carboxylic acid methyl-(4-trifluoromethanesulfonyl-benzyl)-amide
CID 10599222
(S)-2-Benzyl-4-oxo-azetidine-1-carboxylic acid methyl-(4-trifluoromethanesulfinyl-benzyl)-amide
CID 10812244
(2R)-2-benzyl-N-methyl-4-oxo-N-[[4-(trifluoromethylsulfinyl)phenyl]methyl]azetidine-1-carboxamide
CID 482411
(2R)-2-benzyl-N-methyl-4-oxo-N-[[4-(trifluoromethylsulfonyl)phenyl]methyl]azetidine-1-carboxamide
CID 482412
N,N-dibenzyl-4-((4-fluorophenyl)sulfonyl)butanamide
CID 18585994
CID 134807317
CID 134807317
Rel-(3R,4S)-1-benzyl-3-[(4-fluorophenyl)sulfonyl]-3-methyl-4-phenyl-2-azetidinone
CID 155937028
(3R,4S)-1-benzyl-3-(4-fluorophenyl)-4-(4-methylphenyl)-3-(4-methylphenyl)sulfonylazetidin-2-one
CID 155937030
Rel-(3R,4S)-4-(4-fluorophenyl)-3-[(2-fluorophenyl)sulfonyl]-3-methyl-1-(4-methylphenyl)-2-azetidinone
CID 155937042
Rel-(3R,4S)-1-ethyl-3-[(2-fluorophenyl)sulfonyl]-3-methyl-4-(4-methylphenyl)-2-azetidinone
CID 155937046
(3R,4S)-4-(4-fluorophenyl)-3-(4-fluorophenyl)sulfonyl-3-methylazetidin-2-one
CID 155937049
(5R,6S)-5-(benzenesulfonyl)-1-methyl-6-phenylpiperidin-2-one
CID 71728764

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one?
The IUPAC name of (3R)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one (CID 155937095) is (3R)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one.
What is the SMILES notation for (3R)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one?
The canonical SMILES for (3R)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one is C[C@]1(S(=O)(=O)c2ccc(F)cc2)C(=O)N(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of (3R)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one?
The InChIKey is QCXMAZQXCKRMKI-JFGZAKSSSA-N. The full InChI is InChI=1S/C23H20FNO3S/c1-23(29(27,28)20-14-12-19(24)13-15-20)21(18-10-6-3-7-11-18)25(22(23)26)16-17-8-4-2-5-9-17/h2-15,21H,16H2,1H3/t21?,23-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one?
(3R)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one has a molecular weight of 409.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one is sourced from PubChem (CID 155937095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).