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

C23H20FNO3S — CID 155937028

IUPAC(3R,4S)-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)[C@H]1c1ccccc1
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+/m0/s1
InChIKeyQCXMAZQXCKRMKI-JTHBVZDNSA-N
MW409.48 g/mol
LogP4.14
Rot. Bonds5

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

(3R,4S)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one (PubChem CID 155937028) has the molecular formula C23H20FNO3S and a molecular weight of 409.48 g/mol. Its IUPAC name is (3R,4S)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one
PubChem CID155937028
Molecular FormulaC23H20FNO3S
Molecular Weight409.48 g/mol
Exact Mass409.11
IUPAC Name(3R,4S)-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)[C@H]1c1ccccc1
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+/m0/s1
InChIKeyQCXMAZQXCKRMKI-JTHBVZDNSA-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

Analyze (3R,4S)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one?
The IUPAC name of (3R,4S)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one (CID 155937028) is (3R,4S)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one?
The canonical SMILES for (3R,4S)-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)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one?
The InChIKey is QCXMAZQXCKRMKI-JTHBVZDNSA-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+/m0/s1.
What are the key properties of (3R,4S)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one?
(3R,4S)-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,4S)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one is sourced from PubChem (CID 155937028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).