1-(benzenesulfonyl)-4-(2,3-dimethoxyphenyl)-3-phenoxyazetidin-2-one

C23H21NO6S — CID 46242811

IUPAC1-(benzenesulfonyl)-4-(2,3-dimethoxyphenyl)-3-phenoxyazetidin-2-one
SMILESCOc1cccc(C2C(Oc3ccccc3)C(=O)N2S(=O)(=O)c2ccccc2)c1OC
InChIInChI=1S/C23H21NO6S/c1-28-19-15-9-14-18(21(19)29-2)20-22(30-16-10-5-3-6-11-16)23(25)24(20)31(26,27)17-12-7-4-8-13-17/h3-15,20,22H,1-2H3
InChIKeyDGQMNWMDGAIFMD-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.42
Rot. Bonds7

About 1-(benzenesulfonyl)-4-(2,3-dimethoxyphenyl)-3-phenoxyazetidin-2-one

1-(benzenesulfonyl)-4-(2,3-dimethoxyphenyl)-3-phenoxyazetidin-2-one (PubChem CID 46242811) has the molecular formula C23H21NO6S and a molecular weight of 439.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(2,3-dimethoxyphenyl)-3-phenoxyazetidin-2-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(2,3-dimethoxyphenyl)-3-phenoxyazetidin-2-one
PubChem CID46242811
Molecular FormulaC23H21NO6S
Molecular Weight439.49 g/mol
Exact Mass439.11
IUPAC Name1-(benzenesulfonyl)-4-(2,3-dimethoxyphenyl)-3-phenoxyazetidin-2-one
SMILESCOc1cccc(C2C(Oc3ccccc3)C(=O)N2S(=O)(=O)c2ccccc2)c1OC
InChIInChI=1S/C23H21NO6S/c1-28-19-15-9-14-18(21(19)29-2)20-22(30-16-10-5-3-6-11-16)23(25)24(20)31(26,27)17-12-7-4-8-13-17/h3-15,20,22H,1-2H3
InChIKeyDGQMNWMDGAIFMD-UHFFFAOYSA-N
XLogP3.42
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one
CID 16757039
(3R,4R)-4-(3-bromo-4-methoxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 127025552
4-(4-methylsulfanylphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 171342778
3-(2,3-dimethoxyphenyl)-4-phenyloxolane-2,5-dione
CID 5225835
(3R)-2-(benzenesulfonyl)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole
CID 7120948
1-(benzenesulfonyl)-4-(2,3-dimethoxyphenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 42681461
(4E)-1-butyl-5-(2,3-dimethoxyphenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 44866231
(2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole
CID 92533105
2-(2,3-dimethoxyphenyl)-1,3-diphenylimidazolidine
CID 1106964
1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole
CID 110535227
(4Z)-5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 6238278
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(2,3-dimethoxyphenyl)-3-phenoxyazetidin-2-one?
The IUPAC name of 1-(benzenesulfonyl)-4-(2,3-dimethoxyphenyl)-3-phenoxyazetidin-2-one (CID 46242811) is 1-(benzenesulfonyl)-4-(2,3-dimethoxyphenyl)-3-phenoxyazetidin-2-one.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(2,3-dimethoxyphenyl)-3-phenoxyazetidin-2-one?
The canonical SMILES for 1-(benzenesulfonyl)-4-(2,3-dimethoxyphenyl)-3-phenoxyazetidin-2-one is COc1cccc(C2C(Oc3ccccc3)C(=O)N2S(=O)(=O)c2ccccc2)c1OC.
What is the InChIKey of 1-(benzenesulfonyl)-4-(2,3-dimethoxyphenyl)-3-phenoxyazetidin-2-one?
The InChIKey is DGQMNWMDGAIFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO6S/c1-28-19-15-9-14-18(21(19)29-2)20-22(30-16-10-5-3-6-11-16)23(25)24(20)31(26,27)17-12-7-4-8-13-17/h3-15,20,22H,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-4-(2,3-dimethoxyphenyl)-3-phenoxyazetidin-2-one?
1-(benzenesulfonyl)-4-(2,3-dimethoxyphenyl)-3-phenoxyazetidin-2-one has a molecular weight of 439.49 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(2,3-dimethoxyphenyl)-3-phenoxyazetidin-2-one is sourced from PubChem (CID 46242811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).