2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide

C18H14F3N3O3S — CID 155116617

IUPAC2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC(=O)c1cn(C)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C18H14F3N3O3S/c1-10-8-11(19)6-7-15(10)28(26,27)23-18(25)14-9-24(2)17(22-14)16-12(20)4-3-5-13(16)21/h3-9H,1-2H3,(H,23,25)
InChIKeyDSHYMGGGROBIIX-UHFFFAOYSA-N
MW409.39 g/mol
LogP2.93
Rot. Bonds4

About 2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide

2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide (PubChem CID 155116617) has the molecular formula C18H14F3N3O3S and a molecular weight of 409.39 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide
PubChem CID155116617
Molecular FormulaC18H14F3N3O3S
Molecular Weight409.39 g/mol
Exact Mass409.07
IUPAC Name2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC(=O)c1cn(C)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C18H14F3N3O3S/c1-10-8-11(19)6-7-15(10)28(26,27)23-18(25)14-9-24(2)17(22-14)16-12(20)4-3-5-13(16)21/h3-9H,1-2H3,(H,23,25)
InChIKeyDSHYMGGGROBIIX-UHFFFAOYSA-N
XLogP2.93
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide
CID 155116183
2-(2,6-difluorophenyl)-1-methyl-N-(2,4,6-trimethylphenyl)sulfonylimidazole-4-carboxamide
CID 155116512
N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116486
N-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116356
N-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116359
N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 147083151
N-(3,4-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 148864284
2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116524
2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide
CID 130437704
N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 147509340
N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116121
2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide
CID 155116605

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide (CID 155116617) is 2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide is Cc1cc(F)ccc1S(=O)(=O)NC(=O)c1cn(C)c(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The InChIKey is DSHYMGGGROBIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3S/c1-10-8-11(19)6-7-15(10)28(26,27)23-18(25)14-9-24(2)17(22-14)16-12(20)4-3-5-13(16)21/h3-9H,1-2H3,(H,23,25).
What are the key properties of 2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide has a molecular weight of 409.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 155116617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).