5-(5-chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione

C10H9ClN2O3S — CID 13312629

IUPAC5-(5-chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione
SMILESCS(=O)c1ccc(Cl)cc1C1NC(=O)NC1=O
InChIInChI=1S/C10H9ClN2O3S/c1-17(16)7-3-2-5(11)4-6(7)8-9(14)13-10(15)12-8/h2-4,8H,1H3,(H2,12,13,14,15)
InChIKeyXSWNTHJBWWYKHH-UHFFFAOYSA-N
MW272.71 g/mol
LogP0.96
Rot. Bonds2

About 5-(5-chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione

5-(5-chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione (PubChem CID 13312629) has the molecular formula C10H9ClN2O3S and a molecular weight of 272.71 g/mol. Its IUPAC name is 5-(5-chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(5-chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione
PubChem CID13312629
Molecular FormulaC10H9ClN2O3S
Molecular Weight272.71 g/mol
Exact Mass272.00
IUPAC Name5-(5-chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione
SMILESCS(=O)c1ccc(Cl)cc1C1NC(=O)NC1=O
InChIInChI=1S/C10H9ClN2O3S/c1-17(16)7-3-2-5(11)4-6(7)8-9(14)13-10(15)12-8/h2-4,8H,1H3,(H2,12,13,14,15)
InChIKeyXSWNTHJBWWYKHH-UHFFFAOYSA-N
XLogP0.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(5-chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione (CID 13312629) is 5-(5-chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(5-chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(5-chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione is CS(=O)c1ccc(Cl)cc1C1NC(=O)NC1=O.
What is the InChIKey of 5-(5-chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione?
The InChIKey is XSWNTHJBWWYKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3S/c1-17(16)7-3-2-5(11)4-6(7)8-9(14)13-10(15)12-8/h2-4,8H,1H3,(H2,12,13,14,15).
What are the key properties of 5-(5-chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione?
5-(5-chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione has a molecular weight of 272.71 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 13312629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).