2-(2-methoxy-5-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride

C11H12ClNO4S — CID 66352502

IUPAC2-(2-methoxy-5-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride
SMILESCOc1ccc(C)cc1C1CC(=O)N1S(=O)(=O)Cl
InChIInChI=1S/C11H12ClNO4S/c1-7-3-4-10(17-2)8(5-7)9-6-11(14)13(9)18(12,15)16/h3-5,9H,6H2,1-2H3
InChIKeyLVFNSHQNIHHROW-UHFFFAOYSA-N
MW289.74 g/mol
LogP1.76
Rot. Bonds3

About 2-(2-methoxy-5-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride

2-(2-methoxy-5-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride (PubChem CID 66352502) has the molecular formula C11H12ClNO4S and a molecular weight of 289.74 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride
PubChem CID66352502
Molecular FormulaC11H12ClNO4S
Molecular Weight289.74 g/mol
Exact Mass289.02
IUPAC Name2-(2-methoxy-5-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride
SMILESCOc1ccc(C)cc1C1CC(=O)N1S(=O)(=O)Cl
InChIInChI=1S/C11H12ClNO4S/c1-7-3-4-10(17-2)8(5-7)9-6-11(14)13(9)18(12,15)16/h3-5,9H,6H2,1-2H3
InChIKeyLVFNSHQNIHHROW-UHFFFAOYSA-N
XLogP1.76
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxy-5-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride 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-(2-methoxy-5-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride (CID 66352502) is 2-(2-methoxy-5-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride is COc1ccc(C)cc1C1CC(=O)N1S(=O)(=O)Cl.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride?
The InChIKey is LVFNSHQNIHHROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4S/c1-7-3-4-10(17-2)8(5-7)9-6-11(14)13(9)18(12,15)16/h3-5,9H,6H2,1-2H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride?
2-(2-methoxy-5-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride has a molecular weight of 289.74 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride is sourced from PubChem (CID 66352502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).