2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide

C18H21N7O4S — CID 122327373

IUPAC2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)cc1C(N)=O
InChIInChI=1S/C18H21N7O4S/c1-12-7-10-25(24-12)17-6-5-16(22-23-17)20-8-9-21-30(27,28)13-3-4-15(29-2)14(11-13)18(19)26/h3-7,10-11,21H,8-9H2,1-2H3,(H2,19,26)(H,20,22)
InChIKeyOXZYXEBZKUQFAW-UHFFFAOYSA-N
MW431.48 g/mol
LogP0.47
Rot. Bonds9

About 2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide

2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide (PubChem CID 122327373) has the molecular formula C18H21N7O4S and a molecular weight of 431.48 g/mol. Its IUPAC name is 2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide
PubChem CID122327373
Molecular FormulaC18H21N7O4S
Molecular Weight431.48 g/mol
Exact Mass431.14
IUPAC Name2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)cc1C(N)=O
InChIInChI=1S/C18H21N7O4S/c1-12-7-10-25(24-12)17-6-5-16(22-23-17)20-8-9-21-30(27,28)13-3-4-15(29-2)14(11-13)18(19)26/h3-7,10-11,21H,8-9H2,1-2H3,(H2,19,26)(H,20,22)
InChIKeyOXZYXEBZKUQFAW-UHFFFAOYSA-N
XLogP0.47
TPSA154.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122327122
2-methoxy-5-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]benzamide
CID 122294038
2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide
CID 122346049
3-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122327357
2,4-diethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122327407
2-methoxy-5-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethylsulfamoyl]benzamide
CID 122315706
4-ethoxy-3-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 122328472
1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide
CID 122327369
3-fluoro-4-methoxy-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122323958
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide
CID 16654390
2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 122328514
2,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 70703293

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide?
The IUPAC name of 2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide (CID 122327373) is 2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide.
What is the SMILES notation for 2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide?
The canonical SMILES for 2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide is COc1ccc(S(=O)(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide?
The InChIKey is OXZYXEBZKUQFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O4S/c1-12-7-10-25(24-12)17-6-5-16(22-23-17)20-8-9-21-30(27,28)13-3-4-15(29-2)14(11-13)18(19)26/h3-7,10-11,21H,8-9H2,1-2H3,(H2,19,26)(H,20,22).
What are the key properties of 2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide?
2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide has a molecular weight of 431.48 g/mol, XLogP of 0.47, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide is sourced from PubChem (CID 122327373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).