3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione

C15H17N3O4S — CID 121159635

IUPAC3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione
SMILESCc1ccc(/C=C/S(=O)(=O)N2CC(N3C(=O)CNC3=O)C2)cc1
InChIInChI=1S/C15H17N3O4S/c1-11-2-4-12(5-3-11)6-7-23(21,22)17-9-13(10-17)18-14(19)8-16-15(18)20/h2-7,13H,8-10H2,1H3,(H,16,20)/b7-6+
InChIKeyOLXNCFMFCNZFDD-VOTSOKGWSA-N
MW335.39 g/mol
LogP0.53
Rot. Bonds4

About 3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione

3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159635) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159635
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione
SMILESCc1ccc(/C=C/S(=O)(=O)N2CC(N3C(=O)CNC3=O)C2)cc1
InChIInChI=1S/C15H17N3O4S/c1-11-2-4-12(5-3-11)6-7-23(21,22)17-9-13(10-17)18-14(19)8-16-15(18)20/h2-7,13H,8-10H2,1H3,(H,16,20)/b7-6+
InChIKeyOLXNCFMFCNZFDD-VOTSOKGWSA-N
XLogP0.53
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione (CID 121159635) is 3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione is Cc1ccc(/C=C/S(=O)(=O)N2CC(N3C(=O)CNC3=O)C2)cc1.
What is the InChIKey of 3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is OLXNCFMFCNZFDD-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-11-2-4-12(5-3-11)6-7-23(21,22)17-9-13(10-17)18-14(19)8-16-15(18)20/h2-7,13H,8-10H2,1H3,(H,16,20)/b7-6+.
What are the key properties of 3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione?
3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 335.39 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).