1-(4-methylphenyl)sulfonylazetidine-2,4-dione

C10H9NO4S — CID 82664020

IUPAC1-(4-methylphenyl)sulfonylazetidine-2,4-dione
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC2=O)cc1
InChIInChI=1S/C10H9NO4S/c1-7-2-4-8(5-3-7)16(14,15)11-9(12)6-10(11)13/h2-5H,6H2,1H3
InChIKeyVEYCDEBYHSMMNA-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.44
Rot. Bonds2

About 1-(4-methylphenyl)sulfonylazetidine-2,4-dione

1-(4-methylphenyl)sulfonylazetidine-2,4-dione (PubChem CID 82664020) has the molecular formula C10H9NO4S and a molecular weight of 239.25 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylazetidine-2,4-dione.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylazetidine-2,4-dione
PubChem CID82664020
Molecular FormulaC10H9NO4S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Name1-(4-methylphenyl)sulfonylazetidine-2,4-dione
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC2=O)cc1
InChIInChI=1S/C10H9NO4S/c1-7-2-4-8(5-3-7)16(14,15)11-9(12)6-10(11)13/h2-5H,6H2,1H3
InChIKeyVEYCDEBYHSMMNA-UHFFFAOYSA-N
XLogP0.44
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylazetidine-2,4-dione?
The IUPAC name of 1-(4-methylphenyl)sulfonylazetidine-2,4-dione (CID 82664020) is 1-(4-methylphenyl)sulfonylazetidine-2,4-dione.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylazetidine-2,4-dione?
The canonical SMILES for 1-(4-methylphenyl)sulfonylazetidine-2,4-dione is Cc1ccc(S(=O)(=O)N2C(=O)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylazetidine-2,4-dione?
The InChIKey is VEYCDEBYHSMMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S/c1-7-2-4-8(5-3-7)16(14,15)11-9(12)6-10(11)13/h2-5H,6H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonylazetidine-2,4-dione?
1-(4-methylphenyl)sulfonylazetidine-2,4-dione has a molecular weight of 239.25 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylazetidine-2,4-dione is sourced from PubChem (CID 82664020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).