1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione

C13H15FN2O4S — CID 56797095

IUPAC1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCC1C(=O)N(CCS(C)(=O)=O)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O4S/c1-9-12(17)15(7-8-21(2,19)20)13(18)16(9)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyHBFVFLJQMHTZEN-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.03
Rot. Bonds4

About 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione

1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione (PubChem CID 56797095) has the molecular formula C13H15FN2O4S and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
PubChem CID56797095
Molecular FormulaC13H15FN2O4S
Molecular Weight314.34 g/mol
Exact Mass314.07
IUPAC Name1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCC1C(=O)N(CCS(C)(=O)=O)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O4S/c1-9-12(17)15(7-8-21(2,19)20)13(18)16(9)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyHBFVFLJQMHTZEN-UHFFFAOYSA-N
XLogP1.03
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione 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 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione (CID 56797095) is 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione is CC1C(=O)N(CCS(C)(=O)=O)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The InChIKey is HBFVFLJQMHTZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4S/c1-9-12(17)15(7-8-21(2,19)20)13(18)16(9)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione has a molecular weight of 314.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 56797095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).