2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide

C18H13Cl2N3OS — CID 2768653

IUPAC2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide
SMILESNC(=O)C(c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)nn1
InChIInChI=1S/C18H13Cl2N3OS/c19-12-3-1-11(2-4-12)17(18(21)24)15-9-10-16(23-22-15)25-14-7-5-13(20)6-8-14/h1-10,17H,(H2,21,24)
InChIKeyZUBVWWQYGHUYKT-UHFFFAOYSA-N
MW390.30 g/mol
LogP4.55
Rot. Bonds5

About 2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide

2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide (PubChem CID 2768653) has the molecular formula C18H13Cl2N3OS and a molecular weight of 390.30 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide
PubChem CID2768653
Molecular FormulaC18H13Cl2N3OS
Molecular Weight390.30 g/mol
Exact Mass389.02
IUPAC Name2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide
SMILESNC(=O)C(c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)nn1
InChIInChI=1S/C18H13Cl2N3OS/c19-12-3-1-11(2-4-12)17(18(21)24)15-9-10-16(23-22-15)25-14-7-5-13(20)6-8-14/h1-10,17H,(H2,21,24)
InChIKeyZUBVWWQYGHUYKT-UHFFFAOYSA-N
XLogP4.55
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide (CID 2768653) is 2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide is NC(=O)C(c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)nn1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide?
The InChIKey is ZUBVWWQYGHUYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3OS/c19-12-3-1-11(2-4-12)17(18(21)24)15-9-10-16(23-22-15)25-14-7-5-13(20)6-8-14/h1-10,17H,(H2,21,24).
What are the key properties of 2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide?
2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide has a molecular weight of 390.30 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide is sourced from PubChem (CID 2768653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).