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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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).