3-methyl-2-(4-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride

C11H12ClNO3S — CID 66351405

IUPAC3-methyl-2-(4-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride
SMILESCc1ccc(C2C(C)C(=O)N2S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H12ClNO3S/c1-7-3-5-9(6-4-7)10-8(2)11(14)13(10)17(12,15)16/h3-6,8,10H,1-2H3
InChIKeyDPCVBKUKCGTEBG-UHFFFAOYSA-N
MW273.74 g/mol
LogP2.00
Rot. Bonds2

About 3-methyl-2-(4-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride

3-methyl-2-(4-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride (PubChem CID 66351405) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is 3-methyl-2-(4-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride.

Molecular Properties

Compound Name3-methyl-2-(4-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride
PubChem CID66351405
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name3-methyl-2-(4-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride
SMILESCc1ccc(C2C(C)C(=O)N2S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H12ClNO3S/c1-7-3-5-9(6-4-7)10-8(2)11(14)13(10)17(12,15)16/h3-6,8,10H,1-2H3
InChIKeyDPCVBKUKCGTEBG-UHFFFAOYSA-N
XLogP2.00
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride?
The IUPAC name of 3-methyl-2-(4-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride (CID 66351405) is 3-methyl-2-(4-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride.
What is the SMILES notation for 3-methyl-2-(4-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride?
The canonical SMILES for 3-methyl-2-(4-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride is Cc1ccc(C2C(C)C(=O)N2S(=O)(=O)Cl)cc1.
What is the InChIKey of 3-methyl-2-(4-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride?
The InChIKey is DPCVBKUKCGTEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S/c1-7-3-5-9(6-4-7)10-8(2)11(14)13(10)17(12,15)16/h3-6,8,10H,1-2H3.
What are the key properties of 3-methyl-2-(4-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride?
3-methyl-2-(4-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride has a molecular weight of 273.74 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride is sourced from PubChem (CID 66351405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).