1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)sulfonylimidazole-4-carboxamide

C16H9Cl2F2N3O3S — CID 139452945

IUPAC1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)sulfonylimidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1c(F)cccc1F)c1cn(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C16H9Cl2F2N3O3S/c17-9-3-1-6-13(14(9)18)23-7-12(21-8-23)16(24)22-27(25,26)15-10(19)4-2-5-11(15)20/h1-8H,(H,22,24)
InChIKeyMALTVLFBZYGMDG-UHFFFAOYSA-N
MW432.24 g/mol
LogP3.58
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)sulfonylimidazole-4-carboxamide

1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)sulfonylimidazole-4-carboxamide (PubChem CID 139452945) has the molecular formula C16H9Cl2F2N3O3S and a molecular weight of 432.24 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)sulfonylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)sulfonylimidazole-4-carboxamide
PubChem CID139452945
Molecular FormulaC16H9Cl2F2N3O3S
Molecular Weight432.24 g/mol
Exact Mass430.97
IUPAC Name1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)sulfonylimidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1c(F)cccc1F)c1cn(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C16H9Cl2F2N3O3S/c17-9-3-1-6-13(14(9)18)23-7-12(21-8-23)16(24)22-27(25,26)15-10(19)4-2-5-11(15)20/h1-8H,(H,22,24)
InChIKeyMALTVLFBZYGMDG-UHFFFAOYSA-N
XLogP3.58
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.24
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)sulfonylimidazole-4-carboxamide?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)sulfonylimidazole-4-carboxamide (CID 139452945) is 1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)sulfonylimidazole-4-carboxamide.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)sulfonylimidazole-4-carboxamide?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)sulfonylimidazole-4-carboxamide is O=C(NS(=O)(=O)c1c(F)cccc1F)c1cn(-c2cccc(Cl)c2Cl)cn1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)sulfonylimidazole-4-carboxamide?
The InChIKey is MALTVLFBZYGMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F2N3O3S/c17-9-3-1-6-13(14(9)18)23-7-12(21-8-23)16(24)22-27(25,26)15-10(19)4-2-5-11(15)20/h1-8H,(H,22,24).
What are the key properties of 1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)sulfonylimidazole-4-carboxamide?
1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)sulfonylimidazole-4-carboxamide has a molecular weight of 432.24 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)sulfonylimidazole-4-carboxamide is sourced from PubChem (CID 139452945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).