2-oxo-4-(2-phenylethyl)azetidine-1-sulfonyl chloride

C11H12ClNO3S — CID 64665968

IUPAC2-oxo-4-(2-phenylethyl)azetidine-1-sulfonyl chloride
SMILESO=C1CC(CCc2ccccc2)N1S(=O)(=O)Cl
InChIInChI=1S/C11H12ClNO3S/c12-17(15,16)13-10(8-11(13)14)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyGZWNXXKCLGYGAC-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.70
Rot. Bonds4

About 2-oxo-4-(2-phenylethyl)azetidine-1-sulfonyl chloride

2-oxo-4-(2-phenylethyl)azetidine-1-sulfonyl chloride (PubChem CID 64665968) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is 2-oxo-4-(2-phenylethyl)azetidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-oxo-4-(2-phenylethyl)azetidine-1-sulfonyl chloride
PubChem CID64665968
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name2-oxo-4-(2-phenylethyl)azetidine-1-sulfonyl chloride
SMILESO=C1CC(CCc2ccccc2)N1S(=O)(=O)Cl
InChIInChI=1S/C11H12ClNO3S/c12-17(15,16)13-10(8-11(13)14)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyGZWNXXKCLGYGAC-UHFFFAOYSA-N
XLogP1.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298
(4R)-4-ethyl-1-(2-phenylethyl)azetidin-2-one
CID 135071116
2-oxo-4-(4-propylphenyl)azetidine-1-sulfonyl chloride
CID 66352278
(2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine
CID 44598246
1-(4-methylphenyl)sulfonyl-5-(2-phenylethyl)pyrrolidin-3-one
CID 102236049
[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673658
1-tert-butyl-2-(2-phenylethyl)aziridine
CID 155929239
(6R)-1-methyl-2,6-bis(2-phenylethyl)piperidine
CID 59910919
(5S)-5-(2-phenylethyl)-1-phenylmethoxyimidazolidin-2-one
CID 132578257
1-hydroxy-5-[2-(4-phenylphenyl)ethyl]pyrrolidin-2-one
CID 15670583
4-methylsulfonyl-1-(2-oxo-4-phenylbutyl)azetidin-2-one
CID 18781942
(2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine
CID 97101388

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-(2-phenylethyl)azetidine-1-sulfonyl chloride?
The IUPAC name of 2-oxo-4-(2-phenylethyl)azetidine-1-sulfonyl chloride (CID 64665968) is 2-oxo-4-(2-phenylethyl)azetidine-1-sulfonyl chloride.
What is the SMILES notation for 2-oxo-4-(2-phenylethyl)azetidine-1-sulfonyl chloride?
The canonical SMILES for 2-oxo-4-(2-phenylethyl)azetidine-1-sulfonyl chloride is O=C1CC(CCc2ccccc2)N1S(=O)(=O)Cl.
What is the InChIKey of 2-oxo-4-(2-phenylethyl)azetidine-1-sulfonyl chloride?
The InChIKey is GZWNXXKCLGYGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S/c12-17(15,16)13-10(8-11(13)14)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of 2-oxo-4-(2-phenylethyl)azetidine-1-sulfonyl chloride?
2-oxo-4-(2-phenylethyl)azetidine-1-sulfonyl chloride has a molecular weight of 273.74 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-(2-phenylethyl)azetidine-1-sulfonyl chloride is sourced from PubChem (CID 64665968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).