N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide

C24H17Cl2N3OS — CID 43936695

IUPACN-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H17Cl2N3OS/c25-19-12-20(26)14-21(13-19)27-23(30)15-31-24-11-10-22(28-29-24)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14H,15H2,(H,27,30)
InChIKeyJSXXVTGPPRMJHV-UHFFFAOYSA-N
MW466.39 g/mol
LogP6.85
Rot. Bonds6

About N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide

N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 43936695) has the molecular formula C24H17Cl2N3OS and a molecular weight of 466.39 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID43936695
Molecular FormulaC24H17Cl2N3OS
Molecular Weight466.39 g/mol
Exact Mass465.05
IUPAC NameN-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H17Cl2N3OS/c25-19-12-20(26)14-21(13-19)27-23(30)15-31-24-11-10-22(28-29-24)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14H,15H2,(H,27,30)
InChIKeyJSXXVTGPPRMJHV-UHFFFAOYSA-N
XLogP6.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.39
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7688154
methyl 4-[[2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 43936617
N-(4-fluoro-3-nitrophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936697
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 41376788
N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541081
N-(3-fluoro-4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541133
N-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502592
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936632
N-(2-methylpropyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 42763706
N-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 43936813
N-(3,4-difluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7206206

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 43936695) is N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide is O=C(CSc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is JSXXVTGPPRMJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3OS/c25-19-12-20(26)14-21(13-19)27-23(30)15-31-24-11-10-22(28-29-24)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14H,15H2,(H,27,30).
What are the key properties of N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 466.39 g/mol, XLogP of 6.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 43936695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).