2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[1-(dimethylsulfamoyl)piperidin-3-yl]acetamide

C13H19Cl2N5O4S — CID 162727148

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[1-(dimethylsulfamoyl)piperidin-3-yl]acetamide
SMILESCN(C)S(=O)(=O)N1CCCC(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)C1
InChIInChI=1S/C13H19Cl2N5O4S/c1-18(2)25(23,24)19-5-3-4-9(7-19)17-11(21)8-20-13(22)12(15)10(14)6-16-20/h6,9H,3-5,7-8H2,1-2H3,(H,17,21)
InChIKeyMVKOFDYEAUADGA-UHFFFAOYSA-N
MW412.30 g/mol
LogP-0.06
Rot. Bonds5

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[1-(dimethylsulfamoyl)piperidin-3-yl]acetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[1-(dimethylsulfamoyl)piperidin-3-yl]acetamide (PubChem CID 162727148) has the molecular formula C13H19Cl2N5O4S and a molecular weight of 412.30 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[1-(dimethylsulfamoyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[1-(dimethylsulfamoyl)piperidin-3-yl]acetamide
PubChem CID162727148
Molecular FormulaC13H19Cl2N5O4S
Molecular Weight412.30 g/mol
Exact Mass411.05
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[1-(dimethylsulfamoyl)piperidin-3-yl]acetamide
SMILESCN(C)S(=O)(=O)N1CCCC(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)C1
InChIInChI=1S/C13H19Cl2N5O4S/c1-18(2)25(23,24)19-5-3-4-9(7-19)17-11(21)8-20-13(22)12(15)10(14)6-16-20/h6,9H,3-5,7-8H2,1-2H3,(H,17,21)
InChIKeyMVKOFDYEAUADGA-UHFFFAOYSA-N
XLogP-0.06
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 9492242
4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95260207
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2086642
N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2585062
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 115573232
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one
CID 18776705
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[5-(dimethylsulfamoyl)-2,4-dimethylphenyl]acetamide
CID 162727267
2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 9492221
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3,4-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide
CID 162727771
N-[1-[2-chloro-4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]piperidin-3-yl]butanamide
CID 133354814
N-(1-adamantyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 4811965
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 46605787

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[1-(dimethylsulfamoyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[1-(dimethylsulfamoyl)piperidin-3-yl]acetamide (CID 162727148) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[1-(dimethylsulfamoyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[1-(dimethylsulfamoyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[1-(dimethylsulfamoyl)piperidin-3-yl]acetamide is CN(C)S(=O)(=O)N1CCCC(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)C1.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[1-(dimethylsulfamoyl)piperidin-3-yl]acetamide?
The InChIKey is MVKOFDYEAUADGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N5O4S/c1-18(2)25(23,24)19-5-3-4-9(7-19)17-11(21)8-20-13(22)12(15)10(14)6-16-20/h6,9H,3-5,7-8H2,1-2H3,(H,17,21).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[1-(dimethylsulfamoyl)piperidin-3-yl]acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[1-(dimethylsulfamoyl)piperidin-3-yl]acetamide has a molecular weight of 412.30 g/mol, XLogP of -0.06, 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-[1-(dimethylsulfamoyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 162727148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).