2-(2,6-difluorophenyl)-N-[(6-methoxy-3-pyridinyl)sulfonyl]-1-methylimidazole-4-carboxamide

C17H14F2N4O4S — CID 155116298

IUPAC2-(2,6-difluorophenyl)-N-[(6-methoxy-3-pyridinyl)sulfonyl]-1-methylimidazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2cn(C)c(-c3c(F)cccc3F)n2)cn1
InChIInChI=1S/C17H14F2N4O4S/c1-23-9-13(21-16(23)15-11(18)4-3-5-12(15)19)17(24)22-28(25,26)10-6-7-14(27-2)20-8-10/h3-9H,1-2H3,(H,22,24)
InChIKeyCVUJFRLLGZHQAQ-UHFFFAOYSA-N
MW408.39 g/mol
LogP1.89
Rot. Bonds5

About 2-(2,6-difluorophenyl)-N-[(6-methoxy-3-pyridinyl)sulfonyl]-1-methylimidazole-4-carboxamide

2-(2,6-difluorophenyl)-N-[(6-methoxy-3-pyridinyl)sulfonyl]-1-methylimidazole-4-carboxamide (PubChem CID 155116298) has the molecular formula C17H14F2N4O4S and a molecular weight of 408.39 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[(6-methoxy-3-pyridinyl)sulfonyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[(6-methoxy-3-pyridinyl)sulfonyl]-1-methylimidazole-4-carboxamide
PubChem CID155116298
Molecular FormulaC17H14F2N4O4S
Molecular Weight408.39 g/mol
Exact Mass408.07
IUPAC Name2-(2,6-difluorophenyl)-N-[(6-methoxy-3-pyridinyl)sulfonyl]-1-methylimidazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2cn(C)c(-c3c(F)cccc3F)n2)cn1
InChIInChI=1S/C17H14F2N4O4S/c1-23-9-13(21-16(23)15-11(18)4-3-5-12(15)19)17(24)22-28(25,26)10-6-7-14(27-2)20-8-10/h3-9H,1-2H3,(H,22,24)
InChIKeyCVUJFRLLGZHQAQ-UHFFFAOYSA-N
XLogP1.89
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[(6-methoxy-3-pyridinyl)sulfonyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[(6-methoxy-3-pyridinyl)sulfonyl]-1-methylimidazole-4-carboxamide (CID 155116298) is 2-(2,6-difluorophenyl)-N-[(6-methoxy-3-pyridinyl)sulfonyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[(6-methoxy-3-pyridinyl)sulfonyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[(6-methoxy-3-pyridinyl)sulfonyl]-1-methylimidazole-4-carboxamide is COc1ccc(S(=O)(=O)NC(=O)c2cn(C)c(-c3c(F)cccc3F)n2)cn1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[(6-methoxy-3-pyridinyl)sulfonyl]-1-methylimidazole-4-carboxamide?
The InChIKey is CVUJFRLLGZHQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O4S/c1-23-9-13(21-16(23)15-11(18)4-3-5-12(15)19)17(24)22-28(25,26)10-6-7-14(27-2)20-8-10/h3-9H,1-2H3,(H,22,24).
What are the key properties of 2-(2,6-difluorophenyl)-N-[(6-methoxy-3-pyridinyl)sulfonyl]-1-methylimidazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-[(6-methoxy-3-pyridinyl)sulfonyl]-1-methylimidazole-4-carboxamide has a molecular weight of 408.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[(6-methoxy-3-pyridinyl)sulfonyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 155116298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).