2-(2,6-dichlorophenyl)-2-[6-(2,4-difluorophenyl)sulfanylpyridazin-3-yl]acetamide

C18H11Cl2F2N3OS — CID 6412194

IUPAC2-(2,6-dichlorophenyl)-2-[6-(2,4-difluorophenyl)sulfanylpyridazin-3-yl]acetamide
SMILESNC(=O)C(c1ccc(Sc2ccc(F)cc2F)nn1)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H11Cl2F2N3OS/c19-10-2-1-3-11(20)16(10)17(18(23)26)13-5-7-15(25-24-13)27-14-6-4-9(21)8-12(14)22/h1-8,17H,(H2,23,26)
InChIKeyHKERPLHTDSCJFB-UHFFFAOYSA-N
MW426.28 g/mol
LogP4.83
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-2-[6-(2,4-difluorophenyl)sulfanylpyridazin-3-yl]acetamide

2-(2,6-dichlorophenyl)-2-[6-(2,4-difluorophenyl)sulfanylpyridazin-3-yl]acetamide (PubChem CID 6412194) has the molecular formula C18H11Cl2F2N3OS and a molecular weight of 426.28 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-2-[6-(2,4-difluorophenyl)sulfanylpyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-2-[6-(2,4-difluorophenyl)sulfanylpyridazin-3-yl]acetamide
PubChem CID6412194
Molecular FormulaC18H11Cl2F2N3OS
Molecular Weight426.28 g/mol
Exact Mass425.00
IUPAC Name2-(2,6-dichlorophenyl)-2-[6-(2,4-difluorophenyl)sulfanylpyridazin-3-yl]acetamide
SMILESNC(=O)C(c1ccc(Sc2ccc(F)cc2F)nn1)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H11Cl2F2N3OS/c19-10-2-1-3-11(20)16(10)17(18(23)26)13-5-7-15(25-24-13)27-14-6-4-9(21)8-12(14)22/h1-8,17H,(H2,23,26)
InChIKeyHKERPLHTDSCJFB-UHFFFAOYSA-N
XLogP4.83
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.28
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-2-[6-(2,4-difluorophenyl)sulfanylpyridazin-3-yl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-2-[6-(2,4-difluorophenyl)sulfanylpyridazin-3-yl]acetamide (CID 6412194) is 2-(2,6-dichlorophenyl)-2-[6-(2,4-difluorophenyl)sulfanylpyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-2-[6-(2,4-difluorophenyl)sulfanylpyridazin-3-yl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-2-[6-(2,4-difluorophenyl)sulfanylpyridazin-3-yl]acetamide is NC(=O)C(c1ccc(Sc2ccc(F)cc2F)nn1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-2-[6-(2,4-difluorophenyl)sulfanylpyridazin-3-yl]acetamide?
The InChIKey is HKERPLHTDSCJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2F2N3OS/c19-10-2-1-3-11(20)16(10)17(18(23)26)13-5-7-15(25-24-13)27-14-6-4-9(21)8-12(14)22/h1-8,17H,(H2,23,26).
What are the key properties of 2-(2,6-dichlorophenyl)-2-[6-(2,4-difluorophenyl)sulfanylpyridazin-3-yl]acetamide?
2-(2,6-dichlorophenyl)-2-[6-(2,4-difluorophenyl)sulfanylpyridazin-3-yl]acetamide has a molecular weight of 426.28 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-2-[6-(2,4-difluorophenyl)sulfanylpyridazin-3-yl]acetamide is sourced from PubChem (CID 6412194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).