6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide

C15H16F3N5O3S — CID 56581337

IUPAC6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)nn1
InChIInChI=1S/C15H16F3N5O3S/c1-23(2)13-8-7-12(21-22-13)14(24)20-10-3-5-11(6-4-10)27(25,26)19-9-15(16,17)18/h3-8,19H,9H2,1-2H3,(H,20,24)
InChIKeyZYMGFKBHTUKGJZ-UHFFFAOYSA-N
MW403.39 g/mol
LogP1.64
Rot. Bonds6

About 6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide

6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide (PubChem CID 56581337) has the molecular formula C15H16F3N5O3S and a molecular weight of 403.39 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide
PubChem CID56581337
Molecular FormulaC15H16F3N5O3S
Molecular Weight403.39 g/mol
Exact Mass403.09
IUPAC Name6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)nn1
InChIInChI=1S/C15H16F3N5O3S/c1-23(2)13-8-7-12(21-22-13)14(24)20-10-3-5-11(6-4-10)27(25,26)19-9-15(16,17)18/h3-8,19H,9H2,1-2H3,(H,20,24)
InChIKeyZYMGFKBHTUKGJZ-UHFFFAOYSA-N
XLogP1.64
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 9474697
4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 119692437
4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 9474816
4-N-[6-(dimethylamino)pyrimidin-4-yl]-1-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 100725670
4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride
CID 43096777
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 9474695
3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 9474698
2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide
CID 119692461
4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 26425964
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9474741
4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43454892
N-methyl-N-[2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24684885

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide (CID 56581337) is 6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide is CN(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)nn1.
What is the InChIKey of 6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is ZYMGFKBHTUKGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O3S/c1-23(2)13-8-7-12(21-22-13)14(24)20-10-3-5-11(6-4-10)27(25,26)19-9-15(16,17)18/h3-8,19H,9H2,1-2H3,(H,20,24).
What are the key properties of 6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide?
6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 56581337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).