methyl 6-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]pyridazine-3-carboxylate

C16H20N4O4S — CID 154774698

IUPACmethyl 6-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(C)c2ccc(S(=O)(=O)N(C)C)cc2)nn1
InChIInChI=1S/C16H20N4O4S/c1-11(17-15-10-9-14(18-19-15)16(21)24-4)12-5-7-13(8-6-12)25(22,23)20(2)3/h5-11H,1-4H3,(H,17,19)
InChIKeyHZKMNQBWJZDKNW-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.69
Rot. Bonds6

About methyl 6-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]pyridazine-3-carboxylate

methyl 6-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]pyridazine-3-carboxylate (PubChem CID 154774698) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is methyl 6-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]pyridazine-3-carboxylate
PubChem CID154774698
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Namemethyl 6-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(C)c2ccc(S(=O)(=O)N(C)C)cc2)nn1
InChIInChI=1S/C16H20N4O4S/c1-11(17-15-10-9-14(18-19-15)16(21)24-4)12-5-7-13(8-6-12)25(22,23)20(2)3/h5-11H,1-4H3,(H,17,19)
InChIKeyHZKMNQBWJZDKNW-UHFFFAOYSA-N
XLogP1.69
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]pyridazine-3-carboxylate (CID 154774698) is methyl 6-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]pyridazine-3-carboxylate is COC(=O)c1ccc(NC(C)c2ccc(S(=O)(=O)N(C)C)cc2)nn1.
What is the InChIKey of methyl 6-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]pyridazine-3-carboxylate?
The InChIKey is HZKMNQBWJZDKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-11(17-15-10-9-14(18-19-15)16(21)24-4)12-5-7-13(8-6-12)25(22,23)20(2)3/h5-11H,1-4H3,(H,17,19).
What are the key properties of methyl 6-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]pyridazine-3-carboxylate?
methyl 6-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]pyridazine-3-carboxylate has a molecular weight of 364.43 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 154774698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).