5-[5-chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione

C17H14Cl2N2O4S — CID 13312644

IUPAC5-[5-chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2cc(Cl)ccc2S(=O)(=O)CCc2ccc(Cl)cc2)N1
InChIInChI=1S/C17H14Cl2N2O4S/c18-11-3-1-10(2-4-11)7-8-26(24,25)14-6-5-12(19)9-13(14)15-16(22)21-17(23)20-15/h1-6,9,15H,7-8H2,(H2,20,21,22,23)
InChIKeyGYNQKTRIQJDTOM-UHFFFAOYSA-N
MW413.28 g/mol
LogP2.89
Rot. Bonds5

About 5-[5-chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione

5-[5-chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione (PubChem CID 13312644) has the molecular formula C17H14Cl2N2O4S and a molecular weight of 413.28 g/mol. Its IUPAC name is 5-[5-chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[5-chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione
PubChem CID13312644
Molecular FormulaC17H14Cl2N2O4S
Molecular Weight413.28 g/mol
Exact Mass412.01
IUPAC Name5-[5-chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2cc(Cl)ccc2S(=O)(=O)CCc2ccc(Cl)cc2)N1
InChIInChI=1S/C17H14Cl2N2O4S/c18-11-3-1-10(2-4-11)7-8-26(24,25)14-6-5-12(19)9-13(14)15-16(22)21-17(23)20-15/h1-6,9,15H,7-8H2,(H2,20,21,22,23)
InChIKeyGYNQKTRIQJDTOM-UHFFFAOYSA-N
XLogP2.89
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 52.89
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
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-(3,5-Dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312645
5-(5-Chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312646
5-[5-Chloro-2-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 13312647

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[5-chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione (CID 13312644) is 5-[5-chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[5-chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[5-chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione is O=C1NC(=O)C(c2cc(Cl)ccc2S(=O)(=O)CCc2ccc(Cl)cc2)N1.
What is the InChIKey of 5-[5-chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is GYNQKTRIQJDTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O4S/c18-11-3-1-10(2-4-11)7-8-26(24,25)14-6-5-12(19)9-13(14)15-16(22)21-17(23)20-15/h1-6,9,15H,7-8H2,(H2,20,21,22,23).
What are the key properties of 5-[5-chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione?
5-[5-chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 413.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 13312644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).