4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide

C24H20N6O3S — CID 16873824

IUPAC4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4nnc(-c5ccccn5)n4n3)c2)cc1
InChIInChI=1S/C24H20N6O3S/c1-2-33-19-9-11-20(12-10-19)34(31,32)29-18-7-5-6-17(16-18)21-13-14-23-26-27-24(30(23)28-21)22-8-3-4-15-25-22/h3-16,29H,2H2,1H3
InChIKeyHNARMGMZZUTZEJ-UHFFFAOYSA-N
MW472.53 g/mol
LogP4.05
Rot. Bonds7

About 4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide

4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 16873824) has the molecular formula C24H20N6O3S and a molecular weight of 472.53 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
PubChem CID16873824
Molecular FormulaC24H20N6O3S
Molecular Weight472.53 g/mol
Exact Mass472.13
IUPAC Name4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4nnc(-c5ccccn5)n4n3)c2)cc1
InChIInChI=1S/C24H20N6O3S/c1-2-33-19-9-11-20(12-10-19)34(31,32)29-18-7-5-6-17(16-18)21-13-14-23-26-27-24(30(23)28-21)22-8-3-4-15-25-22/h3-16,29H,2H2,1H3
InChIKeyHNARMGMZZUTZEJ-UHFFFAOYSA-N
XLogP4.05
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-ethoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873747
4-iodo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 43971717
N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide
CID 7524267
4-butoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873741
6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7532820
2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873809
4-phenyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873652
2-fluoro-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16829420
8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide
CID 16873819
4-iodo-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 43971723
2-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532764
N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-phenoxybenzenesulfonamide
CID 16873522

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (CID 16873824) is 4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4nnc(-c5ccccn5)n4n3)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The InChIKey is HNARMGMZZUTZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O3S/c1-2-33-19-9-11-20(12-10-19)34(31,32)29-18-7-5-6-17(16-18)21-13-14-23-26-27-24(30(23)28-21)22-8-3-4-15-25-22/h3-16,29H,2H2,1H3.
What are the key properties of 4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 472.53 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16873824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).