2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide

C13H11F3N4O4S — CID 628321

IUPAC2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)nn1
InChIInChI=1S/C13H11F3N4O4S/c1-24-11-7-6-10(18-19-11)20-25(22,23)9-4-2-8(3-5-9)17-12(21)13(14,15)16/h2-7H,1H3,(H,17,21)(H,18,20)
InChIKeyOQATZXQAWDMHOL-UHFFFAOYSA-N
MW376.32 g/mol
LogP1.79
Rot. Bonds5

About 2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide

2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 628321) has the molecular formula C13H11F3N4O4S and a molecular weight of 376.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID628321
Molecular FormulaC13H11F3N4O4S
Molecular Weight376.32 g/mol
Exact Mass376.05
IUPAC Name2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)nn1
InChIInChI=1S/C13H11F3N4O4S/c1-24-11-7-6-10(18-19-11)20-25(22,23)9-4-2-8(3-5-9)17-12(21)13(14,15)16/h2-7H,1H3,(H,17,21)(H,18,20)
InChIKeyOQATZXQAWDMHOL-UHFFFAOYSA-N
XLogP1.79
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzamide
CID 6414370
3-fluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 178030232
4-fluoro-N-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 6410986
N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 25048332
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 100634685
N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide
CID 6411940
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 1040326
N-(6-methoxypyridazin-3-yl)-4-[[(Z)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide
CID 5347615
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1013172
3-(4-bromophenyl)-N-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
CID 6794348
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1244336
4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 6413238

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide (CID 628321) is 2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)nn1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is OQATZXQAWDMHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O4S/c1-24-11-7-6-10(18-19-11)20-25(22,23)9-4-2-8(3-5-9)17-12(21)13(14,15)16/h2-7H,1H3,(H,17,21)(H,18,20).
What are the key properties of 2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 376.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 628321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).