1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide

C21H21ClN4O4S — CID 16561745

IUPAC1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O
InChIInChI=1S/C21H21ClN4O4S/c1-13-9-10-15(31(29,30)25(3)4)12-17(13)23-21(28)20-19(27)11-14(2)26(24-20)18-8-6-5-7-16(18)22/h5-12H,1-4H3,(H,23,28)
InChIKeyZZXXIJICHDWMLA-UHFFFAOYSA-N
MW460.94 g/mol
LogP3.01
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide

1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 16561745) has the molecular formula C21H21ClN4O4S and a molecular weight of 460.94 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID16561745
Molecular FormulaC21H21ClN4O4S
Molecular Weight460.94 g/mol
Exact Mass460.10
IUPAC Name1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O
InChIInChI=1S/C21H21ClN4O4S/c1-13-9-10-15(31(29,30)25(3)4)12-17(13)23-21(28)20-19(27)11-14(2)26(24-20)18-8-6-5-7-16(18)22/h5-12H,1-4H3,(H,23,28)
InChIKeyZZXXIJICHDWMLA-UHFFFAOYSA-N
XLogP3.01
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7602453
1-(2-chlorophenyl)-N-(5-fluoro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9266857
1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 35358897
1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9078569
1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide
CID 9091495
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 8777407
1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9072335
1-(2-chlorophenyl)-N-(3-cyanophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 8777620
1-(2-chlorophenyl)-6-methyl-N-(4-methylpiperazin-1-yl)-4-oxopyridazine-3-carboxamide
CID 9075107
1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide
CID 9082115
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604738
2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid
CID 2813889

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide (CID 16561745) is 1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O.
What is the InChIKey of 1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is ZZXXIJICHDWMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O4S/c1-13-9-10-15(31(29,30)25(3)4)12-17(13)23-21(28)20-19(27)11-14(2)26(24-20)18-8-6-5-7-16(18)22/h5-12H,1-4H3,(H,23,28).
What are the key properties of 1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide?
1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 460.94 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 16561745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).