2-ethyl-1-(4-methylphenyl)sulfonylazetidin-3-one

C12H15NO3S — CID 550954

IUPAC2-ethyl-1-(4-methylphenyl)sulfonylazetidin-3-one
SMILESCCC1C(=O)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H15NO3S/c1-3-11-12(14)8-13(11)17(15,16)10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3
InChIKeyMBFJYQTXJNTXSR-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.35
Rot. Bonds3

About 2-ethyl-1-(4-methylphenyl)sulfonylazetidin-3-one

2-ethyl-1-(4-methylphenyl)sulfonylazetidin-3-one (PubChem CID 550954) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-ethyl-1-(4-methylphenyl)sulfonylazetidin-3-one.

Molecular Properties

Compound Name2-ethyl-1-(4-methylphenyl)sulfonylazetidin-3-one
PubChem CID550954
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name2-ethyl-1-(4-methylphenyl)sulfonylazetidin-3-one
SMILESCCC1C(=O)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H15NO3S/c1-3-11-12(14)8-13(11)17(15,16)10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3
InChIKeyMBFJYQTXJNTXSR-UHFFFAOYSA-N
XLogP1.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-1-(4-methylphenyl)sulfonylazetidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methylphenyl)sulfonylazetidin-3-one?
The IUPAC name of 2-ethyl-1-(4-methylphenyl)sulfonylazetidin-3-one (CID 550954) is 2-ethyl-1-(4-methylphenyl)sulfonylazetidin-3-one.
What is the SMILES notation for 2-ethyl-1-(4-methylphenyl)sulfonylazetidin-3-one?
The canonical SMILES for 2-ethyl-1-(4-methylphenyl)sulfonylazetidin-3-one is CCC1C(=O)CN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-ethyl-1-(4-methylphenyl)sulfonylazetidin-3-one?
The InChIKey is MBFJYQTXJNTXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-3-11-12(14)8-13(11)17(15,16)10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3.
What are the key properties of 2-ethyl-1-(4-methylphenyl)sulfonylazetidin-3-one?
2-ethyl-1-(4-methylphenyl)sulfonylazetidin-3-one has a molecular weight of 253.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methylphenyl)sulfonylazetidin-3-one is sourced from PubChem (CID 550954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).