2-(3-fluoro-2-pyridinyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide

C17H15FN4O4S — CID 155116310

IUPAC2-(3-fluoro-2-pyridinyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
SMILESCOc1ccccc1S(=O)(=O)NC(=O)c1cn(C)c(-c2ncccc2F)n1
InChIInChI=1S/C17H15FN4O4S/c1-22-10-12(20-16(22)15-11(18)6-5-9-19-15)17(23)21-27(24,25)14-8-4-3-7-13(14)26-2/h3-10H,1-2H3,(H,21,23)
InChIKeyOKANKJJQCGDXIZ-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.75
Rot. Bonds5

About 2-(3-fluoro-2-pyridinyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide

2-(3-fluoro-2-pyridinyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide (PubChem CID 155116310) has the molecular formula C17H15FN4O4S and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
PubChem CID155116310
Molecular FormulaC17H15FN4O4S
Molecular Weight390.40 g/mol
Exact Mass390.08
IUPAC Name2-(3-fluoro-2-pyridinyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
SMILESCOc1ccccc1S(=O)(=O)NC(=O)c1cn(C)c(-c2ncccc2F)n1
InChIInChI=1S/C17H15FN4O4S/c1-22-10-12(20-16(22)15-11(18)6-5-9-19-15)17(23)21-27(24,25)14-8-4-3-7-13(14)26-2/h3-10H,1-2H3,(H,21,23)
InChIKeyOKANKJJQCGDXIZ-UHFFFAOYSA-N
XLogP1.75
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pyridinyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide (CID 155116310) is 2-(3-fluoro-2-pyridinyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide is COc1ccccc1S(=O)(=O)NC(=O)c1cn(C)c(-c2ncccc2F)n1.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The InChIKey is OKANKJJQCGDXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O4S/c1-22-10-12(20-16(22)15-11(18)6-5-9-19-15)17(23)21-27(24,25)14-8-4-3-7-13(14)26-2/h3-10H,1-2H3,(H,21,23).
What are the key properties of 2-(3-fluoro-2-pyridinyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
2-(3-fluoro-2-pyridinyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pyridinyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 155116310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).