(3S,4R)-1,3,4-triphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one

C22H16F3NO3S — CID 122385712

IUPAC(3S,4R)-1,3,4-triphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one
SMILESO=C1N(c2ccccc2)[C@H](c2ccccc2)[C@]1(c1ccccc1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C22H16F3NO3S/c23-22(24,25)30(28,29)21(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)26(20(21)27)18-14-8-3-9-15-18/h1-15,19H/t19-,21+/m1/s1
InChIKeyAPSIRGAOISEBJR-CTNGQTDRSA-N
MW431.44 g/mol
LogP4.60
Rot. Bonds4

About (3S,4R)-1,3,4-triphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one

(3S,4R)-1,3,4-triphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one (PubChem CID 122385712) has the molecular formula C22H16F3NO3S and a molecular weight of 431.44 g/mol. Its IUPAC name is (3S,4R)-1,3,4-triphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1,3,4-triphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one
PubChem CID122385712
Molecular FormulaC22H16F3NO3S
Molecular Weight431.44 g/mol
Exact Mass431.08
IUPAC Name(3S,4R)-1,3,4-triphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one
SMILESO=C1N(c2ccccc2)[C@H](c2ccccc2)[C@]1(c1ccccc1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C22H16F3NO3S/c23-22(24,25)30(28,29)21(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)26(20(21)27)18-14-8-3-9-15-18/h1-15,19H/t19-,21+/m1/s1
InChIKeyAPSIRGAOISEBJR-CTNGQTDRSA-N
XLogP4.60
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3-phenyl-1,5-dihydro-pyrrol-2-one
CID 10001441
1-(2-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3-phenyl-1,5-dihydro-pyrrol-2-one
CID 10319221
4-(4-Methanesulfonyl-phenyl)-3-phenyl-1-(4-trifluoromethyl-phenyl)-1,5-dihydro-pyrrol-2-one
CID 44293478
3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-1-phenyl-1,5-dihydro-pyrrol-2-one
CID 44293785
3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-1-phenyl-1,5-dihydro-pyrrol-2-one
CID 44293798
3-(4-Fluoro-phenyl)-1-(2-fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-1,5-dihydro-pyrrol-2-one
CID 44294003
N-(1,1-dioxido-2,3-dihydrothien-3-yl)-N-(4-fluorophenyl)-2-phenylacetamide
CID 3235691
3-Benzyl-1,4-diphenyl-2-azetidinone
CID 11842381
N-(1,1-dioxido-2,3-dihydrothien-3-yl)-2-(4-fluorophenyl)-N-phenylacetamide
CID 3242762
N-(1,1-dioxido-2,3-dihydrothien-3-yl)-N,2-bis(4-fluorophenyl)acetamide
CID 3239964
2-(3-Fluorophenyl)-3-phenyl-7-(propane-1-sulfonyl)-2,7-diazaspiro[3.5]nonan-1-one
CID 124074529
(3R,4S)-1-(4-fluorophenyl)-4-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 44403956

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1,3,4-triphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one?
The IUPAC name of (3S,4R)-1,3,4-triphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one (CID 122385712) is (3S,4R)-1,3,4-triphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-1,3,4-triphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-1,3,4-triphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one is O=C1N(c2ccccc2)[C@H](c2ccccc2)[C@]1(c1ccccc1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of (3S,4R)-1,3,4-triphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one?
The InChIKey is APSIRGAOISEBJR-CTNGQTDRSA-N. The full InChI is InChI=1S/C22H16F3NO3S/c23-22(24,25)30(28,29)21(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)26(20(21)27)18-14-8-3-9-15-18/h1-15,19H/t19-,21+/m1/s1.
What are the key properties of (3S,4R)-1,3,4-triphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one?
(3S,4R)-1,3,4-triphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one has a molecular weight of 431.44 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1,3,4-triphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one is sourced from PubChem (CID 122385712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).