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

C17H11Cl2F2N3O3S — CID 147083151

IUPACN-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)nc1-c1c(F)cccc1F
InChIInChI=1S/C17H11Cl2F2N3O3S/c1-24-8-13(22-16(24)14-11(20)6-3-7-12(14)21)17(25)23-28(26,27)15-9(18)4-2-5-10(15)19/h2-8H,1H3,(H,23,25)
InChIKeyBHIBGFWATNIYHB-UHFFFAOYSA-N
MW446.26 g/mol
LogP3.79
Rot. Bonds4

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

N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide (PubChem CID 147083151) has the molecular formula C17H11Cl2F2N3O3S and a molecular weight of 446.26 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
PubChem CID147083151
Molecular FormulaC17H11Cl2F2N3O3S
Molecular Weight446.26 g/mol
Exact Mass444.99
IUPAC NameN-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)nc1-c1c(F)cccc1F
InChIInChI=1S/C17H11Cl2F2N3O3S/c1-24-8-13(22-16(24)14-11(20)6-3-7-12(14)21)17(25)23-28(26,27)15-9(18)4-2-5-10(15)19/h2-8H,1H3,(H,23,25)
InChIKeyBHIBGFWATNIYHB-UHFFFAOYSA-N
XLogP3.79
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.26
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116121
N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 147509340
N-(3,4-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 148864284
N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116486
2-(2,6-difluorophenyl)-1-methyl-N-(2,4,6-trimethylphenyl)sulfonylimidazole-4-carboxamide
CID 155116512
2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116524
2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116617
2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide
CID 130437704
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
2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide
CID 155116605
1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide
CID 155116183

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide (CID 147083151) is N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide is Cn1cc(C(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)nc1-c1c(F)cccc1F.
What is the InChIKey of N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
The InChIKey is BHIBGFWATNIYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F2N3O3S/c1-24-8-13(22-16(24)14-11(20)6-3-7-12(14)21)17(25)23-28(26,27)15-9(18)4-2-5-10(15)19/h2-8H,1H3,(H,23,25).
What are the key properties of N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide has a molecular weight of 446.26 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 147083151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).