N-[4-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethylsulfamoyl]phenyl]butanamide

C18H21N7O4S — CID 71805297

IUPACN-[4-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethylsulfamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-n3cncn3)ccc2=O)cc1
InChIInChI=1S/C18H21N7O4S/c1-2-3-17(26)22-14-4-6-15(7-5-14)30(28,29)21-10-11-24-18(27)9-8-16(23-24)25-13-19-12-20-25/h4-9,12-13,21H,2-3,10-11H2,1H3,(H,22,26)
InChIKeyNLNGWLGROOZBHG-UHFFFAOYSA-N
MW431.48 g/mol
LogP0.54
Rot. Bonds9

About N-[4-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethylsulfamoyl]phenyl]butanamide

N-[4-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethylsulfamoyl]phenyl]butanamide (PubChem CID 71805297) has the molecular formula C18H21N7O4S and a molecular weight of 431.48 g/mol. Its IUPAC name is N-[4-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethylsulfamoyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethylsulfamoyl]phenyl]butanamide
PubChem CID71805297
Molecular FormulaC18H21N7O4S
Molecular Weight431.48 g/mol
Exact Mass431.14
IUPAC NameN-[4-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethylsulfamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-n3cncn3)ccc2=O)cc1
InChIInChI=1S/C18H21N7O4S/c1-2-3-17(26)22-14-4-6-15(7-5-14)30(28,29)21-10-11-24-18(27)9-8-16(23-24)25-13-19-12-20-25/h4-9,12-13,21H,2-3,10-11H2,1H3,(H,22,26)
InChIKeyNLNGWLGROOZBHG-UHFFFAOYSA-N
XLogP0.54
TPSA140.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethylsulfamoyl]phenyl]butanamide?
The IUPAC name of N-[4-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethylsulfamoyl]phenyl]butanamide (CID 71805297) is N-[4-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethylsulfamoyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethylsulfamoyl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethylsulfamoyl]phenyl]butanamide is CCCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-n3cncn3)ccc2=O)cc1.
What is the InChIKey of N-[4-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethylsulfamoyl]phenyl]butanamide?
The InChIKey is NLNGWLGROOZBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O4S/c1-2-3-17(26)22-14-4-6-15(7-5-14)30(28,29)21-10-11-24-18(27)9-8-16(23-24)25-13-19-12-20-25/h4-9,12-13,21H,2-3,10-11H2,1H3,(H,22,26).
What are the key properties of N-[4-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethylsulfamoyl]phenyl]butanamide?
N-[4-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethylsulfamoyl]phenyl]butanamide has a molecular weight of 431.48 g/mol, XLogP of 0.54, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethylsulfamoyl]phenyl]butanamide is sourced from PubChem (CID 71805297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).