2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide

C18H20Cl2N4O4S — CID 3916178

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H20Cl2N4O4S/c1-12-5-6-13(9-15(12)29(27,28)23-7-3-2-4-8-23)22-16(25)11-24-18(26)17(20)14(19)10-21-24/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,22,25)
InChIKeyQLAXAMLCUOJCLU-UHFFFAOYSA-N
MW459.36 g/mol
LogP2.67
Rot. Bonds5

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 3916178) has the molecular formula C18H20Cl2N4O4S and a molecular weight of 459.36 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID3916178
Molecular FormulaC18H20Cl2N4O4S
Molecular Weight459.36 g/mol
Exact Mass458.06
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H20Cl2N4O4S/c1-12-5-6-13(9-15(12)29(27,28)23-7-3-2-4-8-23)22-16(25)11-24-18(26)17(20)14(19)10-21-24/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,22,25)
InChIKeyQLAXAMLCUOJCLU-UHFFFAOYSA-N
XLogP2.67
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 3916178) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is QLAXAMLCUOJCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O4S/c1-12-5-6-13(9-15(12)29(27,28)23-7-3-2-4-8-23)22-16(25)11-24-18(26)17(20)14(19)10-21-24/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,22,25).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 459.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3916178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).