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

C10H9ClN2O4S — CID 13312636

IUPAC5-(5-chloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione
SMILESCS(=O)(=O)c1ccc(Cl)cc1C1NC(=O)NC1=O
InChIInChI=1S/C10H9ClN2O4S/c1-18(16,17)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)
InChIKeyMTYGYNRUUHCLKX-UHFFFAOYSA-N
MW288.71 g/mol
LogP0.62
Rot. Bonds2

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

5-(5-chloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione (PubChem CID 13312636) has the molecular formula C10H9ClN2O4S and a molecular weight of 288.71 g/mol. Its IUPAC name is 5-(5-chloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(5-chloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione
PubChem CID13312636
Molecular FormulaC10H9ClN2O4S
Molecular Weight288.71 g/mol
Exact Mass288.00
IUPAC Name5-(5-chloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione
SMILESCS(=O)(=O)c1ccc(Cl)cc1C1NC(=O)NC1=O
InChIInChI=1S/C10H9ClN2O4S/c1-18(16,17)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)
InChIKeyMTYGYNRUUHCLKX-UHFFFAOYSA-N
XLogP0.62
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 50.62
H-Bond Donors ≤ 52
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 5-(5-chloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(5-chloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione (CID 13312636) is 5-(5-chloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(5-chloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(5-chloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione is CS(=O)(=O)c1ccc(Cl)cc1C1NC(=O)NC1=O.
What is the InChIKey of 5-(5-chloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione?
The InChIKey is MTYGYNRUUHCLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O4S/c1-18(16,17)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-methylsulfonylphenyl)imidazolidine-2,4-dione?
5-(5-chloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione has a molecular weight of 288.71 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 13312636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).