(3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one

C16H15NO4S — CID 16757039

IUPAC(3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one
SMILESCO[C@H]1C(=O)N(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C16H15NO4S/c1-21-15-14(12-8-4-2-5-9-12)17(16(15)18)22(19,20)13-10-6-3-7-11-13/h2-11,14-15H,1H3/t14-,15+/m0/s1
InChIKeyNISWEKJCBSDNJH-LSDHHAIUSA-N
MW317.37 g/mol
LogP1.97
Rot. Bonds4

About (3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one

(3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one (PubChem CID 16757039) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is (3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one
PubChem CID16757039
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC Name(3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one
SMILESCO[C@H]1C(=O)N(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C16H15NO4S/c1-21-15-14(12-8-4-2-5-9-12)17(16(15)18)22(19,20)13-10-6-3-7-11-13/h2-11,14-15H,1H3/t14-,15+/m0/s1
InChIKeyNISWEKJCBSDNJH-LSDHHAIUSA-N
XLogP1.97
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-4-(2,3-dimethoxyphenyl)-3-phenoxyazetidin-2-one
CID 46242811
(3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one
CID 102167394
(2R,6R)-1-(benzenesulfonyl)-2-methoxy-6-phenylpiperidin-4-one
CID 132572092
(3R,4S)-5-(benzenesulfonyl)-7-methoxy-4-(4-methoxyphenyl)-3,10-dimethyl-9-phenyl-5-azatricyclo[6.2.1.02,6]undec-6-en-11-one
CID 5314185
(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carbaldehyde
CID 134884122
(3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one
CID 10592538
2-(benzenesulfonyl)-7-methyl-3-phenyl-3H-isoindol-1-one
CID 25243699
2-[(2R,3S)-1-(benzenesulfonyl)-3-phenylaziridin-2-yl]ethynyl-trimethylsilane
CID 101176254
1-(benzenesulfonyl)-2-methoxy-3-methylidene-2H-pyrrolo[2,3-b]pyridine
CID 11066595
(2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline
CID 132969567
2-methoxy-3-phenyl-2,3-dihydroinden-1-one
CID 21322030
(3R)-2-(benzenesulfonyl)-3-phenyloxaziridine
CID 10923301

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one?
The IUPAC name of (3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one (CID 16757039) is (3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one?
The canonical SMILES for (3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one is CO[C@H]1C(=O)N(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one?
The InChIKey is NISWEKJCBSDNJH-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H15NO4S/c1-21-15-14(12-8-4-2-5-9-12)17(16(15)18)22(19,20)13-10-6-3-7-11-13/h2-11,14-15H,1H3/t14-,15+/m0/s1.
What are the key properties of (3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one?
(3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one has a molecular weight of 317.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one is sourced from PubChem (CID 16757039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).