1-[(4-chlorophenyl)methyl]-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione

C13H15ClN2O4S — CID 99797405

IUPAC1-[(4-chlorophenyl)methyl]-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCS(=O)(=O)CCN1C(=O)CN(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C13H15ClN2O4S/c1-21(19,20)7-6-16-12(17)9-15(13(16)18)8-10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3
InChIKeyIZKLHRUQIKGGCZ-UHFFFAOYSA-N
MW330.79 g/mol
LogP1.15
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione

1-[(4-chlorophenyl)methyl]-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione (PubChem CID 99797405) has the molecular formula C13H15ClN2O4S and a molecular weight of 330.79 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
PubChem CID99797405
Molecular FormulaC13H15ClN2O4S
Molecular Weight330.79 g/mol
Exact Mass330.04
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCS(=O)(=O)CCN1C(=O)CN(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C13H15ClN2O4S/c1-21(19,20)7-6-16-12(17)9-15(13(16)18)8-10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3
InChIKeyIZKLHRUQIKGGCZ-UHFFFAOYSA-N
XLogP1.15
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 51.15
H-Bond Donors ≤ 50
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 1-[(4-chlorophenyl)methyl]-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione (CID 99797405) is 1-[(4-chlorophenyl)methyl]-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione is CS(=O)(=O)CCN1C(=O)CN(Cc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The InChIKey is IZKLHRUQIKGGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4S/c1-21(19,20)7-6-16-12(17)9-15(13(16)18)8-10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
1-[(4-chlorophenyl)methyl]-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione has a molecular weight of 330.79 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 99797405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).