2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide

C18H12Cl3N3OS — CID 41376788

IUPAC2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide
SMILESO=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H12Cl3N3OS/c19-12-3-1-11(2-4-12)15-7-8-18(24-23-15)26-10-17(25)22-16-9-13(20)5-6-14(16)21/h1-9H,10H2,(H,22,25)
InChIKeyXJBVJKNCIHFWEH-UHFFFAOYSA-N
MW424.74 g/mol
LogP5.83
Rot. Bonds5

About 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide

2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide (PubChem CID 41376788) has the molecular formula C18H12Cl3N3OS and a molecular weight of 424.74 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide
PubChem CID41376788
Molecular FormulaC18H12Cl3N3OS
Molecular Weight424.74 g/mol
Exact Mass422.98
IUPAC Name2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide
SMILESO=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H12Cl3N3OS/c19-12-3-1-11(2-4-12)15-7-8-18(24-23-15)26-10-17(25)22-16-9-13(20)5-6-14(16)21/h1-9H,10H2,(H,22,25)
InChIKeyXJBVJKNCIHFWEH-UHFFFAOYSA-N
XLogP5.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.74
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 43936682
N-(2,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7688153
N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936695
N-(2-chlorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699217
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
CID 41376785
N-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502633
N-(3,4-difluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7206206
N-(2,5-dichlorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 5002916
N-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936785
N-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7688154
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide (CID 41376788) is 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide is O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is XJBVJKNCIHFWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3N3OS/c19-12-3-1-11(2-4-12)15-7-8-18(24-23-15)26-10-17(25)22-16-9-13(20)5-6-14(16)21/h1-9H,10H2,(H,22,25).
What are the key properties of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide?
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 424.74 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 41376788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).