1-methyl-N-(2-methylphenyl)sulfonyl-2-pyridin-3-ylimidazole-4-carboxamide

C17H16N4O3S — CID 155116563

IUPAC1-methyl-N-(2-methylphenyl)sulfonyl-2-pyridin-3-ylimidazole-4-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)c1cn(C)c(-c2cccnc2)n1
InChIInChI=1S/C17H16N4O3S/c1-12-6-3-4-8-15(12)25(23,24)20-17(22)14-11-21(2)16(19-14)13-7-5-9-18-10-13/h3-11H,1-2H3,(H,20,22)
InChIKeyKPAKARFEHQHWRV-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.91
Rot. Bonds4

About 1-methyl-N-(2-methylphenyl)sulfonyl-2-pyridin-3-ylimidazole-4-carboxamide

1-methyl-N-(2-methylphenyl)sulfonyl-2-pyridin-3-ylimidazole-4-carboxamide (PubChem CID 155116563) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 1-methyl-N-(2-methylphenyl)sulfonyl-2-pyridin-3-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methylphenyl)sulfonyl-2-pyridin-3-ylimidazole-4-carboxamide
PubChem CID155116563
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name1-methyl-N-(2-methylphenyl)sulfonyl-2-pyridin-3-ylimidazole-4-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)c1cn(C)c(-c2cccnc2)n1
InChIInChI=1S/C17H16N4O3S/c1-12-6-3-4-8-15(12)25(23,24)20-17(22)14-11-21(2)16(19-14)13-7-5-9-18-10-13/h3-11H,1-2H3,(H,20,22)
InChIKeyKPAKARFEHQHWRV-UHFFFAOYSA-N
XLogP1.91
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide
CID 155116183
2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116327
2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116564
2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116617
N-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide
CID 155116421
N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide
CID 146335135
N-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116356
2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317740
[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate
CID 68796914
N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 147509340
N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 147083151
2-methyl-N-[4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]benzenesulfonamide
CID 70069654

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylphenyl)sulfonyl-2-pyridin-3-ylimidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(2-methylphenyl)sulfonyl-2-pyridin-3-ylimidazole-4-carboxamide (CID 155116563) is 1-methyl-N-(2-methylphenyl)sulfonyl-2-pyridin-3-ylimidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methylphenyl)sulfonyl-2-pyridin-3-ylimidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methylphenyl)sulfonyl-2-pyridin-3-ylimidazole-4-carboxamide is Cc1ccccc1S(=O)(=O)NC(=O)c1cn(C)c(-c2cccnc2)n1.
What is the InChIKey of 1-methyl-N-(2-methylphenyl)sulfonyl-2-pyridin-3-ylimidazole-4-carboxamide?
The InChIKey is KPAKARFEHQHWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-12-6-3-4-8-15(12)25(23,24)20-17(22)14-11-21(2)16(19-14)13-7-5-9-18-10-13/h3-11H,1-2H3,(H,20,22).
What are the key properties of 1-methyl-N-(2-methylphenyl)sulfonyl-2-pyridin-3-ylimidazole-4-carboxamide?
1-methyl-N-(2-methylphenyl)sulfonyl-2-pyridin-3-ylimidazole-4-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylphenyl)sulfonyl-2-pyridin-3-ylimidazole-4-carboxamide is sourced from PubChem (CID 155116563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).