4-(dimethylsulfamoyl)-N-(6-methylsulfanylpyridazin-3-yl)benzamide

C14H16N4O3S2 — CID 42172358

IUPAC4-(dimethylsulfamoyl)-N-(6-methylsulfanylpyridazin-3-yl)benzamide
SMILESCSc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nn1
InChIInChI=1S/C14H16N4O3S2/c1-18(2)23(20,21)11-6-4-10(5-7-11)14(19)15-12-8-9-13(22-3)17-16-12/h4-9H,1-3H3,(H,15,16,19)
InChIKeyAYPAJBMDFQAGCE-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.70
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-(6-methylsulfanylpyridazin-3-yl)benzamide

4-(dimethylsulfamoyl)-N-(6-methylsulfanylpyridazin-3-yl)benzamide (PubChem CID 42172358) has the molecular formula C14H16N4O3S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(6-methylsulfanylpyridazin-3-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(6-methylsulfanylpyridazin-3-yl)benzamide
PubChem CID42172358
Molecular FormulaC14H16N4O3S2
Molecular Weight352.44 g/mol
Exact Mass352.07
IUPAC Name4-(dimethylsulfamoyl)-N-(6-methylsulfanylpyridazin-3-yl)benzamide
SMILESCSc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nn1
InChIInChI=1S/C14H16N4O3S2/c1-18(2)23(20,21)11-6-4-10(5-7-11)14(19)15-12-8-9-13(22-3)17-16-12/h4-9H,1-3H3,(H,15,16,19)
InChIKeyAYPAJBMDFQAGCE-UHFFFAOYSA-N
XLogP1.70
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-(dimethylsulfamoyl)benzamide
CID 113044795
N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 33152473
N-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide
CID 113030001
4-(dimethylsulfamoyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2051259
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 7719621
4-(dimethylsulfamoyl)-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)benzamide
CID 166200854
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide
CID 47078487
N-(5-chloro-2-fluorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 2664664
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(6-methylsulfanylpyridazin-3-yl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(6-methylsulfanylpyridazin-3-yl)benzamide (CID 42172358) is 4-(dimethylsulfamoyl)-N-(6-methylsulfanylpyridazin-3-yl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(6-methylsulfanylpyridazin-3-yl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(6-methylsulfanylpyridazin-3-yl)benzamide is CSc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nn1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(6-methylsulfanylpyridazin-3-yl)benzamide?
The InChIKey is AYPAJBMDFQAGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S2/c1-18(2)23(20,21)11-6-4-10(5-7-11)14(19)15-12-8-9-13(22-3)17-16-12/h4-9H,1-3H3,(H,15,16,19).
What are the key properties of 4-(dimethylsulfamoyl)-N-(6-methylsulfanylpyridazin-3-yl)benzamide?
4-(dimethylsulfamoyl)-N-(6-methylsulfanylpyridazin-3-yl)benzamide has a molecular weight of 352.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(6-methylsulfanylpyridazin-3-yl)benzamide is sourced from PubChem (CID 42172358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).