N-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide

C19H11F8N3O3S — CID 155116359

IUPACN-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)nc1-c1c(F)cccc1F
InChIInChI=1S/C19H11F8N3O3S/c1-30-8-13(28-16(30)15-11(20)3-2-4-12(15)21)17(31)29-34(32,33)14-7-9(18(22,23)24)5-6-10(14)19(25,26)27/h2-8H,1H3,(H,29,31)
InChIKeyWFPXXHDLMHIGIT-UHFFFAOYSA-N
MW513.37 g/mol
LogP4.52
Rot. Bonds4

About N-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide

N-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide (PubChem CID 155116359) has the molecular formula C19H11F8N3O3S and a molecular weight of 513.37 g/mol. Its IUPAC name is N-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
PubChem CID155116359
Molecular FormulaC19H11F8N3O3S
Molecular Weight513.37 g/mol
Exact Mass513.04
IUPAC NameN-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)nc1-c1c(F)cccc1F
InChIInChI=1S/C19H11F8N3O3S/c1-30-8-13(28-16(30)15-11(20)3-2-4-12(15)21)17(31)29-34(32,33)14-7-9(18(22,23)24)5-6-10(14)19(25,26)27/h2-8H,1H3,(H,29,31)
InChIKeyWFPXXHDLMHIGIT-UHFFFAOYSA-N
XLogP4.52
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116617
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-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide
CID 152842079
N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 147083151
1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide
CID 155116183
N-(3,4-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 148864284
2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide
CID 155116605
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)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116524
N-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide
CID 155116630

Frequently Asked Questions

What is the IUPAC name of N-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide (CID 155116359) is N-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide is Cn1cc(C(=O)NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)nc1-c1c(F)cccc1F.
What is the InChIKey of N-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
The InChIKey is WFPXXHDLMHIGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F8N3O3S/c1-30-8-13(28-16(30)15-11(20)3-2-4-12(15)21)17(31)29-34(32,33)14-7-9(18(22,23)24)5-6-10(14)19(25,26)27/h2-8H,1H3,(H,29,31).
What are the key properties of N-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
N-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide has a molecular weight of 513.37 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 155116359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).