2-ethyl-4-oxo-2-phenylazetidine-1-sulfonyl chloride

C11H12ClNO3S — CID 64664704

IUPAC2-ethyl-4-oxo-2-phenylazetidine-1-sulfonyl chloride
SMILESCCC1(c2ccccc2)CC(=O)N1S(=O)(=O)Cl
InChIInChI=1S/C11H12ClNO3S/c1-2-11(9-6-4-3-5-7-9)8-10(14)13(11)17(12,15)16/h3-7H,2,8H2,1H3
InChIKeyXJILCLUCHVEQCE-UHFFFAOYSA-N
MW273.74 g/mol
LogP2.01
Rot. Bonds3

About 2-ethyl-4-oxo-2-phenylazetidine-1-sulfonyl chloride

2-ethyl-4-oxo-2-phenylazetidine-1-sulfonyl chloride (PubChem CID 64664704) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is 2-ethyl-4-oxo-2-phenylazetidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-4-oxo-2-phenylazetidine-1-sulfonyl chloride
PubChem CID64664704
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name2-ethyl-4-oxo-2-phenylazetidine-1-sulfonyl chloride
SMILESCCC1(c2ccccc2)CC(=O)N1S(=O)(=O)Cl
InChIInChI=1S/C11H12ClNO3S/c1-2-11(9-6-4-3-5-7-9)8-10(14)13(11)17(12,15)16/h3-7H,2,8H2,1H3
InChIKeyXJILCLUCHVEQCE-UHFFFAOYSA-N
XLogP2.01
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-oxo-2-phenylazetidine-1-sulfonyl chloride?
The IUPAC name of 2-ethyl-4-oxo-2-phenylazetidine-1-sulfonyl chloride (CID 64664704) is 2-ethyl-4-oxo-2-phenylazetidine-1-sulfonyl chloride.
What is the SMILES notation for 2-ethyl-4-oxo-2-phenylazetidine-1-sulfonyl chloride?
The canonical SMILES for 2-ethyl-4-oxo-2-phenylazetidine-1-sulfonyl chloride is CCC1(c2ccccc2)CC(=O)N1S(=O)(=O)Cl.
What is the InChIKey of 2-ethyl-4-oxo-2-phenylazetidine-1-sulfonyl chloride?
The InChIKey is XJILCLUCHVEQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S/c1-2-11(9-6-4-3-5-7-9)8-10(14)13(11)17(12,15)16/h3-7H,2,8H2,1H3.
What are the key properties of 2-ethyl-4-oxo-2-phenylazetidine-1-sulfonyl chloride?
2-ethyl-4-oxo-2-phenylazetidine-1-sulfonyl chloride has a molecular weight of 273.74 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-oxo-2-phenylazetidine-1-sulfonyl chloride is sourced from PubChem (CID 64664704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).