5-(3,5-dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione

C10H8Cl2N2O4S — CID 13312645

IUPAC5-(3,5-dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione
SMILESCS(=O)(=O)c1c(Cl)cc(Cl)cc1C1NC(=O)NC1=O
InChIInChI=1S/C10H8Cl2N2O4S/c1-19(17,18)8-5(2-4(11)3-6(8)12)7-9(15)14-10(16)13-7/h2-3,7H,1H3,(H2,13,14,15,16)
InChIKeyJTOZBIIWPYRCRY-UHFFFAOYSA-N
MW323.16 g/mol
LogP1.28
Rot. Bonds2

About 5-(3,5-dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione

5-(3,5-dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione (PubChem CID 13312645) has the molecular formula C10H8Cl2N2O4S and a molecular weight of 323.16 g/mol. Its IUPAC name is 5-(3,5-dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3,5-dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione
PubChem CID13312645
Molecular FormulaC10H8Cl2N2O4S
Molecular Weight323.16 g/mol
Exact Mass321.96
IUPAC Name5-(3,5-dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione
SMILESCS(=O)(=O)c1c(Cl)cc(Cl)cc1C1NC(=O)NC1=O
InChIInChI=1S/C10H8Cl2N2O4S/c1-19(17,18)8-5(2-4(11)3-6(8)12)7-9(15)14-10(16)13-7/h2-3,7H,1H3,(H2,13,14,15,16)
InChIKeyJTOZBIIWPYRCRY-UHFFFAOYSA-N
XLogP1.28
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(5-Chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione
CID 13312629
5-(5-Chloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312636
4-Chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide
CID 13312649
6,8-Dichlorospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
CID 13953751
5-(5-Chloro-2-methylsulfanylphenyl)imidazolidine-2,4-dione
CID 13312620
5-[5-Chloro-2-[(4-chlorophenyl)methylsulfinyl]phenyl]imidazolidine-2,4-dione
CID 13312634
5-(5-Chloro-2-ethylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312637
5-(5-Chloro-2-propylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312638
5-(5-Chloro-2-propan-2-ylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312639
5-[5-Chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione
CID 13312643
5-[5-Chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione
CID 13312644
5-(5-Chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312646

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(3,5-dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione (CID 13312645) is 5-(3,5-dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3,5-dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(3,5-dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione is CS(=O)(=O)c1c(Cl)cc(Cl)cc1C1NC(=O)NC1=O.
What is the InChIKey of 5-(3,5-dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione?
The InChIKey is JTOZBIIWPYRCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O4S/c1-19(17,18)8-5(2-4(11)3-6(8)12)7-9(15)14-10(16)13-7/h2-3,7H,1H3,(H2,13,14,15,16).
What are the key properties of 5-(3,5-dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione?
5-(3,5-dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione has a molecular weight of 323.16 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 13312645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).