1-(2-bromo-4-chlorophenyl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methanesulfonamide

C13H15BrClN3O4S — CID 119036389

IUPAC1-(2-bromo-4-chlorophenyl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methanesulfonamide
SMILESCCC1(C)NC(=O)N(NS(=O)(=O)Cc2ccc(Cl)cc2Br)C1=O
InChIInChI=1S/C13H15BrClN3O4S/c1-3-13(2)11(19)18(12(20)16-13)17-23(21,22)7-8-4-5-9(15)6-10(8)14/h4-6,17H,3,7H2,1-2H3,(H,16,20)
InChIKeyRAGVKJGXWMLITP-UHFFFAOYSA-N
MW424.70 g/mol
LogP2.16
Rot. Bonds5

About 1-(2-bromo-4-chlorophenyl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methanesulfonamide

1-(2-bromo-4-chlorophenyl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methanesulfonamide (PubChem CID 119036389) has the molecular formula C13H15BrClN3O4S and a molecular weight of 424.70 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methanesulfonamide
PubChem CID119036389
Molecular FormulaC13H15BrClN3O4S
Molecular Weight424.70 g/mol
Exact Mass422.97
IUPAC Name1-(2-bromo-4-chlorophenyl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methanesulfonamide
SMILESCCC1(C)NC(=O)N(NS(=O)(=O)Cc2ccc(Cl)cc2Br)C1=O
InChIInChI=1S/C13H15BrClN3O4S/c1-3-13(2)11(19)18(12(20)16-13)17-23(21,22)7-8-4-5-9(15)6-10(8)14/h4-6,17H,3,7H2,1-2H3,(H,16,20)
InChIKeyRAGVKJGXWMLITP-UHFFFAOYSA-N
XLogP2.16
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.70
LogP ≤ 52.16
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 1-(2-bromo-4-chlorophenyl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methanesulfonamide?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methanesulfonamide (CID 119036389) is 1-(2-bromo-4-chlorophenyl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methanesulfonamide?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methanesulfonamide is CCC1(C)NC(=O)N(NS(=O)(=O)Cc2ccc(Cl)cc2Br)C1=O.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methanesulfonamide?
The InChIKey is RAGVKJGXWMLITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O4S/c1-3-13(2)11(19)18(12(20)16-13)17-23(21,22)7-8-4-5-9(15)6-10(8)14/h4-6,17H,3,7H2,1-2H3,(H,16,20).
What are the key properties of 1-(2-bromo-4-chlorophenyl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methanesulfonamide?
1-(2-bromo-4-chlorophenyl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methanesulfonamide has a molecular weight of 424.70 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methanesulfonamide is sourced from PubChem (CID 119036389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).