(3R,4S)-4-(4-fluorophenyl)-3-(4-fluorophenyl)sulfonyl-3-methylazetidin-2-one

C16H13F2NO3S — CID 155937049

IUPAC(3R,4S)-4-(4-fluorophenyl)-3-(4-fluorophenyl)sulfonyl-3-methylazetidin-2-one
SMILESC[C@]1(S(=O)(=O)c2ccc(F)cc2)C(=O)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H13F2NO3S/c1-16(23(21,22)13-8-6-12(18)7-9-13)14(19-15(16)20)10-2-4-11(17)5-3-10/h2-9,14H,1H3,(H,19,20)/t14-,16+/m0/s1
InChIKeyUYUJPZFTXTUTDZ-GOEBONIOSA-N
MW337.35 g/mol
LogP2.37
Rot. Bonds3

About (3R,4S)-4-(4-fluorophenyl)-3-(4-fluorophenyl)sulfonyl-3-methylazetidin-2-one

(3R,4S)-4-(4-fluorophenyl)-3-(4-fluorophenyl)sulfonyl-3-methylazetidin-2-one (PubChem CID 155937049) has the molecular formula C16H13F2NO3S and a molecular weight of 337.35 g/mol. Its IUPAC name is (3R,4S)-4-(4-fluorophenyl)-3-(4-fluorophenyl)sulfonyl-3-methylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(4-fluorophenyl)-3-(4-fluorophenyl)sulfonyl-3-methylazetidin-2-one
PubChem CID155937049
Molecular FormulaC16H13F2NO3S
Molecular Weight337.35 g/mol
Exact Mass337.06
IUPAC Name(3R,4S)-4-(4-fluorophenyl)-3-(4-fluorophenyl)sulfonyl-3-methylazetidin-2-one
SMILESC[C@]1(S(=O)(=O)c2ccc(F)cc2)C(=O)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H13F2NO3S/c1-16(23(21,22)13-8-6-12(18)7-9-13)14(19-15(16)20)10-2-4-11(17)5-3-10/h2-9,14H,1H3,(H,19,20)/t14-,16+/m0/s1
InChIKeyUYUJPZFTXTUTDZ-GOEBONIOSA-N
XLogP2.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethylsulfonyl)-N-(1-phenylethyl)benzamide
CID 4877182
2-(benzenesulfonyl)-N-(1-phenylethyl)acetamide
CID 2991833
3-[(2-fluorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide
CID 5177076
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 15995224
N-benzyl-4-((4-fluorophenyl)sulfonyl)butanamide
CID 41274515
N-[2-(3,5-difluorophenyl)ethyl]-3-methylsulfonylbenzamide
CID 51101648
5-(3-Fluorophenyl)sulfonyl-4-phenyl-1,5-diazacycloundecan-2-one
CID 110202218
2-[4-(trifluoromethylsulfonyl)phenyl]-N-[[4-(trifluoromethylsulfonyl)phenyl]methyl]acetamide
CID 145992103
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)-1-ethyl-3-[(2-fluorophenyl)sulfonyl]-3-methyl-4-(4-methylphenyl)-2-azetidinone
CID 155937046
(3R)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one
CID 155937095

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-fluorophenyl)-3-(4-fluorophenyl)sulfonyl-3-methylazetidin-2-one?
The IUPAC name of (3R,4S)-4-(4-fluorophenyl)-3-(4-fluorophenyl)sulfonyl-3-methylazetidin-2-one (CID 155937049) is (3R,4S)-4-(4-fluorophenyl)-3-(4-fluorophenyl)sulfonyl-3-methylazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(4-fluorophenyl)-3-(4-fluorophenyl)sulfonyl-3-methylazetidin-2-one?
The canonical SMILES for (3R,4S)-4-(4-fluorophenyl)-3-(4-fluorophenyl)sulfonyl-3-methylazetidin-2-one is C[C@]1(S(=O)(=O)c2ccc(F)cc2)C(=O)N[C@H]1c1ccc(F)cc1.
What is the InChIKey of (3R,4S)-4-(4-fluorophenyl)-3-(4-fluorophenyl)sulfonyl-3-methylazetidin-2-one?
The InChIKey is UYUJPZFTXTUTDZ-GOEBONIOSA-N. The full InChI is InChI=1S/C16H13F2NO3S/c1-16(23(21,22)13-8-6-12(18)7-9-13)14(19-15(16)20)10-2-4-11(17)5-3-10/h2-9,14H,1H3,(H,19,20)/t14-,16+/m0/s1.
What are the key properties of (3R,4S)-4-(4-fluorophenyl)-3-(4-fluorophenyl)sulfonyl-3-methylazetidin-2-one?
(3R,4S)-4-(4-fluorophenyl)-3-(4-fluorophenyl)sulfonyl-3-methylazetidin-2-one has a molecular weight of 337.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-fluorophenyl)-3-(4-fluorophenyl)sulfonyl-3-methylazetidin-2-one is sourced from PubChem (CID 155937049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).