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

C22H15ClF3NO3S — CID 139047642

IUPAC(3S,4R)-4-(4-chlorophenyl)-1,3-diphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one
SMILESO=C1N(c2ccccc2)[C@H](c2ccc(Cl)cc2)[C@]1(c1ccccc1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C22H15ClF3NO3S/c23-17-13-11-15(12-14-17)19-21(16-7-3-1-4-8-16,31(29,30)22(24,25)26)20(28)27(19)18-9-5-2-6-10-18/h1-14,19H/t19-,21+/m1/s1
InChIKeyNPAIOZVLXRWAOX-CTNGQTDRSA-N
MW465.88 g/mol
LogP5.26
Rot. Bonds4

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

(3S,4R)-4-(4-chlorophenyl)-1,3-diphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one (PubChem CID 139047642) has the molecular formula C22H15ClF3NO3S and a molecular weight of 465.88 g/mol. Its IUPAC name is (3S,4R)-4-(4-chlorophenyl)-1,3-diphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-(4-chlorophenyl)-1,3-diphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one
PubChem CID139047642
Molecular FormulaC22H15ClF3NO3S
Molecular Weight465.88 g/mol
Exact Mass465.04
IUPAC Name(3S,4R)-4-(4-chlorophenyl)-1,3-diphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one
SMILESO=C1N(c2ccccc2)[C@H](c2ccc(Cl)cc2)[C@]1(c1ccccc1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C22H15ClF3NO3S/c23-17-13-11-15(12-14-17)19-21(16-7-3-1-4-8-16,31(29,30)22(24,25)26)20(28)27(19)18-9-5-2-6-10-18/h1-14,19H/t19-,21+/m1/s1
InChIKeyNPAIOZVLXRWAOX-CTNGQTDRSA-N
XLogP5.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.88
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-phenylbenzamide
CID 2856807
(3S,4R)-1,3,4-triphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one
CID 122385712
4-(4-Chlorophenyl)-3,3-difluoro-1-phenylazetidin-2-one
CID 5236722
N-(4-Chlorophenyl)-N-(1,1-dioxido-2,3-dihydro-3-thiophenyl)-2-(4-fluorophenyl)acetamide
CID 20881901
N-(4-chlorophenyl)-N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-2-(trifluoromethyl)benzamide
CID 43954664
4-Chloro-N-(1,1-dioxido-2,3-dihydro-3-thiophenyl)-N-(4-fluorophenyl)benzamide
CID 44826562
(3R,4S)-4-(4-chlorophenyl)-3-fluoro-3-methyl-1-phenylazetidin-2-one
CID 10891564
3-(N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3,5-difluoroanilino)-3-oxopropane-1-sulfonyl iodide
CID 58326215
(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 2314294
(4R)-4-(4-chlorophenyl)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 2314295
(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-phenylazetidin-2-one
CID 2320092
(4R)-4-(4-chlorophenyl)-3,3-difluoro-1-phenylazetidin-2-one
CID 2320093

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-chlorophenyl)-1,3-diphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one?
The IUPAC name of (3S,4R)-4-(4-chlorophenyl)-1,3-diphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one (CID 139047642) is (3S,4R)-4-(4-chlorophenyl)-1,3-diphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-4-(4-chlorophenyl)-1,3-diphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-4-(4-chlorophenyl)-1,3-diphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one is O=C1N(c2ccccc2)[C@H](c2ccc(Cl)cc2)[C@]1(c1ccccc1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of (3S,4R)-4-(4-chlorophenyl)-1,3-diphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one?
The InChIKey is NPAIOZVLXRWAOX-CTNGQTDRSA-N. The full InChI is InChI=1S/C22H15ClF3NO3S/c23-17-13-11-15(12-14-17)19-21(16-7-3-1-4-8-16,31(29,30)22(24,25)26)20(28)27(19)18-9-5-2-6-10-18/h1-14,19H/t19-,21+/m1/s1.
What are the key properties of (3S,4R)-4-(4-chlorophenyl)-1,3-diphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one?
(3S,4R)-4-(4-chlorophenyl)-1,3-diphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one has a molecular weight of 465.88 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-chlorophenyl)-1,3-diphenyl-3-(trifluoromethylsulfonyl)azetidin-2-one is sourced from PubChem (CID 139047642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).