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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Related Compounds

methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate
CID 54960640
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55894651
3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide
CID 106170973
2-[(6-methoxycarbonylpyridazin-3-yl)amino]pentanoic acid
CID 60790857
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide
CID 120589757
N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118695
4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 110907925
methyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate
CID 133350668
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-methyl-3-nitrobenzamide
CID 60535171
4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 60960679
methyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate
CID 61222218
3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 167843901

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).