4-methyl-1-(4-methylphenyl)sulfonylazetidin-2-one

C11H13NO3S — CID 14069520

IUPAC4-methyl-1-(4-methylphenyl)sulfonylazetidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC2C)cc1
InChIInChI=1S/C11H13NO3S/c1-8-3-5-10(6-4-8)16(14,15)12-9(2)7-11(12)13/h3-6,9H,7H2,1-2H3
InChIKeyZRVIUUQXRUADIB-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.30
Rot. Bonds2

About 4-methyl-1-(4-methylphenyl)sulfonylazetidin-2-one

4-methyl-1-(4-methylphenyl)sulfonylazetidin-2-one (PubChem CID 14069520) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-methyl-1-(4-methylphenyl)sulfonylazetidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(4-methylphenyl)sulfonylazetidin-2-one
PubChem CID14069520
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name4-methyl-1-(4-methylphenyl)sulfonylazetidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC2C)cc1
InChIInChI=1S/C11H13NO3S/c1-8-3-5-10(6-4-8)16(14,15)12-9(2)7-11(12)13/h3-6,9H,7H2,1-2H3
InChIKeyZRVIUUQXRUADIB-UHFFFAOYSA-N
XLogP1.30
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylphenyl)sulfonylazetidin-2-one?
The IUPAC name of 4-methyl-1-(4-methylphenyl)sulfonylazetidin-2-one (CID 14069520) is 4-methyl-1-(4-methylphenyl)sulfonylazetidin-2-one.
What is the SMILES notation for 4-methyl-1-(4-methylphenyl)sulfonylazetidin-2-one?
The canonical SMILES for 4-methyl-1-(4-methylphenyl)sulfonylazetidin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)CC2C)cc1.
What is the InChIKey of 4-methyl-1-(4-methylphenyl)sulfonylazetidin-2-one?
The InChIKey is ZRVIUUQXRUADIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-8-3-5-10(6-4-8)16(14,15)12-9(2)7-11(12)13/h3-6,9H,7H2,1-2H3.
What are the key properties of 4-methyl-1-(4-methylphenyl)sulfonylazetidin-2-one?
4-methyl-1-(4-methylphenyl)sulfonylazetidin-2-one has a molecular weight of 239.30 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylphenyl)sulfonylazetidin-2-one is sourced from PubChem (CID 14069520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).