1-(2,6-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide

C17H12F3N3O4S — CID 139453260

IUPAC1-(2,6-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide
SMILESCOc1ccc(F)c(S(=O)(=O)NC(=O)c2cn(-c3c(F)cccc3F)cn2)c1
InChIInChI=1S/C17H12F3N3O4S/c1-27-10-5-6-11(18)15(7-10)28(25,26)22-17(24)14-8-23(9-21-14)16-12(19)3-2-4-13(16)20/h2-9H,1H3,(H,22,24)
InChIKeyBPKGVWCGVISYGT-UHFFFAOYSA-N
MW411.36 g/mol
LogP2.42
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide

1-(2,6-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide (PubChem CID 139453260) has the molecular formula C17H12F3N3O4S and a molecular weight of 411.36 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide
PubChem CID139453260
Molecular FormulaC17H12F3N3O4S
Molecular Weight411.36 g/mol
Exact Mass411.05
IUPAC Name1-(2,6-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide
SMILESCOc1ccc(F)c(S(=O)(=O)NC(=O)c2cn(-c3c(F)cccc3F)cn2)c1
InChIInChI=1S/C17H12F3N3O4S/c1-27-10-5-6-11(18)15(7-10)28(25,26)22-17(24)14-8-23(9-21-14)16-12(19)3-2-4-13(16)20/h2-9H,1H3,(H,22,24)
InChIKeyBPKGVWCGVISYGT-UHFFFAOYSA-N
XLogP2.42
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide?
The IUPAC name of 1-(2,6-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide (CID 139453260) is 1-(2,6-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide is COc1ccc(F)c(S(=O)(=O)NC(=O)c2cn(-c3c(F)cccc3F)cn2)c1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide?
The InChIKey is BPKGVWCGVISYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O4S/c1-27-10-5-6-11(18)15(7-10)28(25,26)22-17(24)14-8-23(9-21-14)16-12(19)3-2-4-13(16)20/h2-9H,1H3,(H,22,24).
What are the key properties of 1-(2,6-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide?
1-(2,6-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide has a molecular weight of 411.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide is sourced from PubChem (CID 139453260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).