N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide

C17H11ClF3N3O3S — CID 155116486

IUPACN-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2cccc(F)c2Cl)nc1-c1c(F)cccc1F
InChIInChI=1S/C17H11ClF3N3O3S/c1-24-8-12(22-16(24)14-9(19)4-2-5-10(14)20)17(25)23-28(26,27)13-7-3-6-11(21)15(13)18/h2-8H,1H3,(H,23,25)
InChIKeyMRJJFRYNSKJJEK-UHFFFAOYSA-N
MW429.81 g/mol
LogP3.28
Rot. Bonds4

About N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide

N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide (PubChem CID 155116486) has the molecular formula C17H11ClF3N3O3S and a molecular weight of 429.81 g/mol. Its IUPAC name is N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
PubChem CID155116486
Molecular FormulaC17H11ClF3N3O3S
Molecular Weight429.81 g/mol
Exact Mass429.02
IUPAC NameN-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2cccc(F)c2Cl)nc1-c1c(F)cccc1F
InChIInChI=1S/C17H11ClF3N3O3S/c1-24-8-12(22-16(24)14-9(19)4-2-5-10(14)20)17(25)23-28(26,27)13-7-3-6-11(21)15(13)18/h2-8H,1H3,(H,23,25)
InChIKeyMRJJFRYNSKJJEK-UHFFFAOYSA-N
XLogP3.28
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.81
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide (CID 155116486) is N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide is Cn1cc(C(=O)NS(=O)(=O)c2cccc(F)c2Cl)nc1-c1c(F)cccc1F.
What is the InChIKey of N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
The InChIKey is MRJJFRYNSKJJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O3S/c1-24-8-12(22-16(24)14-9(19)4-2-5-10(14)20)17(25)23-28(26,27)13-7-3-6-11(21)15(13)18/h2-8H,1H3,(H,23,25).
What are the key properties of N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide has a molecular weight of 429.81 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 155116486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).