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

C16H18Cl2N4O4S — CID 162727267

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[5-(dimethylsulfamoyl)-2,4-dimethylphenyl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)C)cc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C16H18Cl2N4O4S/c1-9-5-10(2)13(27(25,26)21(3)4)6-12(9)20-14(23)8-22-16(24)15(18)11(17)7-19-22/h5-7H,8H2,1-4H3,(H,20,23)
InChIKeyCWIBWEJXCORIJE-UHFFFAOYSA-N
MW433.32 g/mol
LogP2.06
Rot. Bonds5

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

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[5-(dimethylsulfamoyl)-2,4-dimethylphenyl]acetamide (PubChem CID 162727267) has the molecular formula C16H18Cl2N4O4S and a molecular weight of 433.32 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[5-(dimethylsulfamoyl)-2,4-dimethylphenyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[5-(dimethylsulfamoyl)-2,4-dimethylphenyl]acetamide
PubChem CID162727267
Molecular FormulaC16H18Cl2N4O4S
Molecular Weight433.32 g/mol
Exact Mass432.04
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[5-(dimethylsulfamoyl)-2,4-dimethylphenyl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)C)cc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C16H18Cl2N4O4S/c1-9-5-10(2)13(27(25,26)21(3)4)6-12(9)20-14(23)8-22-16(24)15(18)11(17)7-19-22/h5-7H,8H2,1-4H3,(H,20,23)
InChIKeyCWIBWEJXCORIJE-UHFFFAOYSA-N
XLogP2.06
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2086642
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 2365320
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9492234
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2585015
3-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]-N,N,7-trimethyl-3,4-dihydro-1H-isochromene-6-sulfonamide
CID 162727858
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 4810069
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 162727955
N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2098968
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 46571679
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
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 115573232
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2106745

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[5-(dimethylsulfamoyl)-2,4-dimethylphenyl]acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[5-(dimethylsulfamoyl)-2,4-dimethylphenyl]acetamide (CID 162727267) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[5-(dimethylsulfamoyl)-2,4-dimethylphenyl]acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[5-(dimethylsulfamoyl)-2,4-dimethylphenyl]acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[5-(dimethylsulfamoyl)-2,4-dimethylphenyl]acetamide is Cc1cc(C)c(S(=O)(=O)N(C)C)cc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[5-(dimethylsulfamoyl)-2,4-dimethylphenyl]acetamide?
The InChIKey is CWIBWEJXCORIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O4S/c1-9-5-10(2)13(27(25,26)21(3)4)6-12(9)20-14(23)8-22-16(24)15(18)11(17)7-19-22/h5-7H,8H2,1-4H3,(H,20,23).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[5-(dimethylsulfamoyl)-2,4-dimethylphenyl]acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[5-(dimethylsulfamoyl)-2,4-dimethylphenyl]acetamide has a molecular weight of 433.32 g/mol, XLogP of 2.06, 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-[5-(dimethylsulfamoyl)-2,4-dimethylphenyl]acetamide is sourced from PubChem (CID 162727267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).