2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide

C17H12Cl2FN3O3S — CID 130437898

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2c(F)cccc2Cl)nc1C(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C17H12Cl2FN3O3S/c1-9-15(22-16(21-9)14-11(19)6-4-7-12(14)20)17(24)23-27(25,26)13-8-3-2-5-10(13)18/h2-8H,1H3,(H,21,22)(H,23,24)
InChIKeyFGWDTPVASYQLGF-UHFFFAOYSA-N
MW428.27 g/mol
LogP3.95
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide

2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 130437898) has the molecular formula C17H12Cl2FN3O3S and a molecular weight of 428.27 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide
PubChem CID130437898
Molecular FormulaC17H12Cl2FN3O3S
Molecular Weight428.27 g/mol
Exact Mass427.00
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2c(F)cccc2Cl)nc1C(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C17H12Cl2FN3O3S/c1-9-15(22-16(21-9)14-11(19)6-4-7-12(14)20)17(24)23-27(25,26)13-8-3-2-5-10(13)18/h2-8H,1H3,(H,21,22)(H,23,24)
InChIKeyFGWDTPVASYQLGF-UHFFFAOYSA-N
XLogP3.95
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.27
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide (CID 130437898) is 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide is Cc1[nH]c(-c2c(F)cccc2Cl)nc1C(=O)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is FGWDTPVASYQLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O3S/c1-9-15(22-16(21-9)14-11(19)6-4-7-12(14)20)17(24)23-27(25,26)13-8-3-2-5-10(13)18/h2-8H,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide?
2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 428.27 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 130437898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).