2,4-diethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide

C20H26N6O4S — CID 122327407

IUPAC2,4-diethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)c(OCC)c1
InChIInChI=1S/C20H26N6O4S/c1-4-29-16-6-7-18(17(14-16)30-5-2)31(27,28)22-12-11-21-19-8-9-20(24-23-19)26-13-10-15(3)25-26/h6-10,13-14,22H,4-5,11-12H2,1-3H3,(H,21,23)
InChIKeyNSBQENJXDPTNPF-UHFFFAOYSA-N
MW446.53 g/mol
LogP2.16
Rot. Bonds11

About 2,4-diethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide

2,4-diethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide (PubChem CID 122327407) has the molecular formula C20H26N6O4S and a molecular weight of 446.53 g/mol. Its IUPAC name is 2,4-diethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-diethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
PubChem CID122327407
Molecular FormulaC20H26N6O4S
Molecular Weight446.53 g/mol
Exact Mass446.17
IUPAC Name2,4-diethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)c(OCC)c1
InChIInChI=1S/C20H26N6O4S/c1-4-29-16-6-7-18(17(14-16)30-5-2)31(27,28)22-12-11-21-19-8-9-20(24-23-19)26-13-10-15(3)25-26/h6-10,13-14,22H,4-5,11-12H2,1-3H3,(H,21,23)
InChIKeyNSBQENJXDPTNPF-UHFFFAOYSA-N
XLogP2.16
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 52.16
H-Bond Donors ≤ 52
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-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide
CID 122327373
1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide
CID 122327369
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide
CID 16654390
4-ethoxy-3-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 122328472
3-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122327357
2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 122328514
1-(2-fluorophenyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]methanesulfonamide
CID 122327359
5-fluoro-2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 122328448
2,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 70703293
2,4-diethoxy-N-octylbenzenesulfonamide
CID 67803858
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-diethoxybenzenesulfonamide
CID 90539285

Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 2,4-diethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide (CID 122327407) is 2,4-diethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-diethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-diethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)c(OCC)c1.
What is the InChIKey of 2,4-diethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is NSBQENJXDPTNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O4S/c1-4-29-16-6-7-18(17(14-16)30-5-2)31(27,28)22-12-11-21-19-8-9-20(24-23-19)26-13-10-15(3)25-26/h6-10,13-14,22H,4-5,11-12H2,1-3H3,(H,21,23).
What are the key properties of 2,4-diethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
2,4-diethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 446.53 g/mol, XLogP of 2.16, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 122327407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).