[3-(difluoromethoxy)phenyl]-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidin-1-yl]methanone

C21H20F5NO4S — CID 59447377

IUPAC[3-(difluoromethoxy)phenyl]-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidin-1-yl]methanone
SMILESCC(C)(C1CN(C(=O)c2cccc(OC(F)F)c2)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H20F5NO4S/c1-20(2,32(29,30)17-8-4-6-14(10-17)21(24,25)26)15-11-27(12-15)18(28)13-5-3-7-16(9-13)31-19(22)23/h3-10,15,19H,11-12H2,1-2H3
InChIKeyIQUAVVMOTKJGQR-UHFFFAOYSA-N
MW477.45 g/mol
LogP4.63
Rot. Bonds6

About [3-(difluoromethoxy)phenyl]-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidin-1-yl]methanone

[3-(difluoromethoxy)phenyl]-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidin-1-yl]methanone (PubChem CID 59447377) has the molecular formula C21H20F5NO4S and a molecular weight of 477.45 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidin-1-yl]methanone
PubChem CID59447377
Molecular FormulaC21H20F5NO4S
Molecular Weight477.45 g/mol
Exact Mass477.10
IUPAC Name[3-(difluoromethoxy)phenyl]-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidin-1-yl]methanone
SMILESCC(C)(C1CN(C(=O)c2cccc(OC(F)F)c2)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H20F5NO4S/c1-20(2,32(29,30)17-8-4-6-14(10-17)21(24,25)26)15-11-27(12-15)18(28)13-5-3-7-16(9-13)31-19(22)23/h3-10,15,19H,11-12H2,1-2H3
InChIKeyIQUAVVMOTKJGQR-UHFFFAOYSA-N
XLogP4.63
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(difluoromethoxy)phenyl]-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidin-1-yl]methanone 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

(4-methoxy-3-methylsulfonylphenyl)-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidin-1-yl]methanone
CID 59447218
(5-fluoro-2-methylsulfonylphenyl)-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidin-1-yl]methanone
CID 25255787
[4-cyclopropylsulfonyl-2-(difluoromethoxy)phenyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 59447426
(3-ethylsulfonylazetidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 121164314
(3-fluorophenyl)-[4-[2-[3-(trifluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 59447423
2-amino-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]propan-1-one
CID 68569535
[4-cyclopropyloxy-2,6-bis(methylsulfanyl)phenyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 59447433
3-methyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]butan-1-one
CID 143785705
[2-methyl-1-oxo-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]propan-2-yl]azanium chloride
CID 87469723
[3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 78783741
2-oxo-5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carboxylic acid
CID 67134141
1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 25256194

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidin-1-yl]methanone?
The IUPAC name of [3-(difluoromethoxy)phenyl]-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidin-1-yl]methanone (CID 59447377) is [3-(difluoromethoxy)phenyl]-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidin-1-yl]methanone.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidin-1-yl]methanone?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidin-1-yl]methanone is CC(C)(C1CN(C(=O)c2cccc(OC(F)F)c2)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidin-1-yl]methanone?
The InChIKey is IQUAVVMOTKJGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F5NO4S/c1-20(2,32(29,30)17-8-4-6-14(10-17)21(24,25)26)15-11-27(12-15)18(28)13-5-3-7-16(9-13)31-19(22)23/h3-10,15,19H,11-12H2,1-2H3.
What are the key properties of [3-(difluoromethoxy)phenyl]-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidin-1-yl]methanone?
[3-(difluoromethoxy)phenyl]-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidin-1-yl]methanone has a molecular weight of 477.45 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 59447377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).