N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide

C17H13ClFN3O3S — CID 147509340

IUPACN-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2ccccc2)nc1-c1c(F)cccc1Cl
InChIInChI=1S/C17H13ClFN3O3S/c1-22-10-14(20-16(22)15-12(18)8-5-9-13(15)19)17(23)21-26(24,25)11-6-3-2-4-7-11/h2-10H,1H3,(H,21,23)
InChIKeyFIZHATORMPIXOJ-UHFFFAOYSA-N
MW393.83 g/mol
LogP3.00
Rot. Bonds4

About N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide

N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide (PubChem CID 147509340) has the molecular formula C17H13ClFN3O3S and a molecular weight of 393.83 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide
PubChem CID147509340
Molecular FormulaC17H13ClFN3O3S
Molecular Weight393.83 g/mol
Exact Mass393.04
IUPAC NameN-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2ccccc2)nc1-c1c(F)cccc1Cl
InChIInChI=1S/C17H13ClFN3O3S/c1-22-10-14(20-16(22)15-12(18)8-5-9-13(15)19)17(23)21-26(24,25)11-6-3-2-4-7-11/h2-10H,1H3,(H,21,23)
InChIKeyFIZHATORMPIXOJ-UHFFFAOYSA-N
XLogP3.00
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116240
N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116486
N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116121
2-(2,6-difluorophenyl)-1-methyl-N-(2,4,6-trimethylphenyl)sulfonylimidazole-4-carboxamide
CID 155116512
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
1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide
CID 155116183
N-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116356
2-(2,3-dichlorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide
CID 130437812
N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide
CID 146335135

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide (CID 147509340) is N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide is Cn1cc(C(=O)NS(=O)(=O)c2ccccc2)nc1-c1c(F)cccc1Cl.
What is the InChIKey of N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide?
The InChIKey is FIZHATORMPIXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3S/c1-22-10-14(20-16(22)15-12(18)8-5-9-13(15)19)17(23)21-26(24,25)11-6-3-2-4-7-11/h2-10H,1H3,(H,21,23).
What are the key properties of N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide?
N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 147509340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).