3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C11H9F3N2O4S — CID 118211180

IUPAC3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCS(=O)(=O)c1ccc(N2C(=O)CNC2=O)cc1C(F)(F)F
InChIInChI=1S/C11H9F3N2O4S/c1-21(19,20)8-3-2-6(4-7(8)11(12,13)14)16-9(17)5-15-10(16)18/h2-4H,5H2,1H3,(H,15,18)
InChIKeyPWEMZIPFQOUYEI-UHFFFAOYSA-N
MW322.26 g/mol
LogP1.17
Rot. Bonds2

About 3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 118211180) has the molecular formula C11H9F3N2O4S and a molecular weight of 322.26 g/mol. Its IUPAC name is 3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID118211180
Molecular FormulaC11H9F3N2O4S
Molecular Weight322.26 g/mol
Exact Mass322.02
IUPAC Name3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCS(=O)(=O)c1ccc(N2C(=O)CNC2=O)cc1C(F)(F)F
InChIInChI=1S/C11H9F3N2O4S/c1-21(19,20)8-3-2-6(4-7(8)11(12,13)14)16-9(17)5-15-10(16)18/h2-4H,5H2,1H3,(H,15,18)
InChIKeyPWEMZIPFQOUYEI-UHFFFAOYSA-N
XLogP1.17
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 51.17
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-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 118211180) is 3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is CS(=O)(=O)c1ccc(N2C(=O)CNC2=O)cc1C(F)(F)F.
What is the InChIKey of 3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is PWEMZIPFQOUYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O4S/c1-21(19,20)8-3-2-6(4-7(8)11(12,13)14)16-9(17)5-15-10(16)18/h2-4H,5H2,1H3,(H,15,18).
What are the key properties of 3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 322.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 118211180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).