2,5-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide

C19H17N5O4S — CID 7161221

IUPAC2,5-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3ccc4nncn4n3)c2)c1
InChIInChI=1S/C19H17N5O4S/c1-27-15-6-8-17(28-2)18(11-15)29(25,26)23-14-5-3-4-13(10-14)16-7-9-19-21-20-12-24(19)22-16/h3-12,23H,1-2H3
InChIKeyOKQCKHNMJZEXJU-UHFFFAOYSA-N
MW411.44 g/mol
LogP2.61
Rot. Bonds6

About 2,5-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide

2,5-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 7161221) has the molecular formula C19H17N5O4S and a molecular weight of 411.44 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
PubChem CID7161221
Molecular FormulaC19H17N5O4S
Molecular Weight411.44 g/mol
Exact Mass411.10
IUPAC Name2,5-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3ccc4nncn4n3)c2)c1
InChIInChI=1S/C19H17N5O4S/c1-27-15-6-8-17(28-2)18(11-15)29(25,26)23-14-5-3-4-13(10-14)16-7-9-19-21-20-12-24(19)22-16/h3-12,23H,1-2H3
InChIKeyOKQCKHNMJZEXJU-UHFFFAOYSA-N
XLogP2.61
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,5-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (CID 7161221) is 2,5-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3ccc4nncn4n3)c2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The InChIKey is OKQCKHNMJZEXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4S/c1-27-15-6-8-17(28-2)18(11-15)29(25,26)23-14-5-3-4-13(10-14)16-7-9-19-21-20-12-24(19)22-16/h3-12,23H,1-2H3.
What are the key properties of 2,5-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
2,5-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 411.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7161221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).