2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide

C18H15Cl2N3O3S — CID 155116204

IUPAC2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C18H15Cl2N3O3S/c1-2-27(25,26)22-18(24)16-11-23(13-9-7-12(19)8-10-13)17(21-16)14-5-3-4-6-15(14)20/h3-11H,2H2,1H3,(H,22,24)
InChIKeyIPCAGQLDDYURGB-UHFFFAOYSA-N
MW424.31 g/mol
LogP3.93
Rot. Bonds5

About 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide

2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide (PubChem CID 155116204) has the molecular formula C18H15Cl2N3O3S and a molecular weight of 424.31 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide
PubChem CID155116204
Molecular FormulaC18H15Cl2N3O3S
Molecular Weight424.31 g/mol
Exact Mass423.02
IUPAC Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C18H15Cl2N3O3S/c1-2-27(25,26)22-18(24)16-11-23(13-9-7-12(19)8-10-13)17(21-16)14-5-3-4-6-15(14)20/h3-11H,2H2,1H3,(H,22,24)
InChIKeyIPCAGQLDDYURGB-UHFFFAOYSA-N
XLogP3.93
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide (CID 155116204) is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide is CCS(=O)(=O)NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide?
The InChIKey is IPCAGQLDDYURGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3S/c1-2-27(25,26)22-18(24)16-11-23(13-9-7-12(19)8-10-13)17(21-16)14-5-3-4-6-15(14)20/h3-11H,2H2,1H3,(H,22,24).
What are the key properties of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide?
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide has a molecular weight of 424.31 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide is sourced from PubChem (CID 155116204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).