5-[5-chloro-2-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C11H8ClF3N2O4S — CID 13312647

IUPAC5-[5-chloro-2-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCS(=O)(=O)c1c(C2NC(=O)NC2=O)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H8ClF3N2O4S/c1-22(20,21)8-5(7-9(18)17-10(19)16-7)2-4(12)3-6(8)11(13,14)15/h2-3,7H,1H3,(H2,16,17,18,19)
InChIKeyNDQUGOVSEQMOJP-UHFFFAOYSA-N
MW356.71 g/mol
LogP1.64
Rot. Bonds2

About 5-[5-chloro-2-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

5-[5-chloro-2-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 13312647) has the molecular formula C11H8ClF3N2O4S and a molecular weight of 356.71 g/mol. Its IUPAC name is 5-[5-chloro-2-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[5-chloro-2-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID13312647
Molecular FormulaC11H8ClF3N2O4S
Molecular Weight356.71 g/mol
Exact Mass355.98
IUPAC Name5-[5-chloro-2-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCS(=O)(=O)c1c(C2NC(=O)NC2=O)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H8ClF3N2O4S/c1-22(20,21)8-5(7-9(18)17-10(19)16-7)2-4(12)3-6(8)11(13,14)15/h2-3,7H,1H3,(H2,16,17,18,19)
InChIKeyNDQUGOVSEQMOJP-UHFFFAOYSA-N
XLogP1.64
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.71
LogP ≤ 51.64
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-Fluoro-2-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312640
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-(3,5-Dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312645

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[5-chloro-2-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 13312647) is 5-[5-chloro-2-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[5-chloro-2-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[5-chloro-2-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is CS(=O)(=O)c1c(C2NC(=O)NC2=O)cc(Cl)cc1C(F)(F)F.
What is the InChIKey of 5-[5-chloro-2-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is NDQUGOVSEQMOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O4S/c1-22(20,21)8-5(7-9(18)17-10(19)16-7)2-4(12)3-6(8)11(13,14)15/h2-3,7H,1H3,(H2,16,17,18,19).
What are the key properties of 5-[5-chloro-2-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
5-[5-chloro-2-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 356.71 g/mol, XLogP of 1.64, 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-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 13312647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).