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

C18H15N5O3S — CID 121037099

IUPAC2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C18H15N5O3S/c1-26-16-7-2-3-8-17(16)27(24,25)22-14-6-4-5-13(11-14)15-9-10-18-20-19-12-23(18)21-15/h2-12,22H,1H3
InChIKeyFOSFNAZTYAGRHU-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.60
Rot. Bonds5

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

2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 121037099) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is 2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
PubChem CID121037099
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC Name2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C18H15N5O3S/c1-26-16-7-2-3-8-17(16)27(24,25)22-14-6-4-5-13(11-14)15-9-10-18-20-19-12-23(18)21-15/h2-12,22H,1H3
InChIKeyFOSFNAZTYAGRHU-UHFFFAOYSA-N
XLogP2.60
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524078
4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 16802745
2,5-dimethoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]benzenesulfonamide
CID 91127010
5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide
CID 16831419
2-(2,6-dioxopiperidin-1-yl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide
CID 121037094
3-(2,5-dimethoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 121036272
2-(2-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
CID 121036197
2,4-dimethyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524117
2,4-difluoro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524163
1-acetyl-2-methyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 121037080
4-chloro-2,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 121037148
1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide
CID 121036280

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (CID 121037099) is 2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1cccc(-c2ccc3nncn3n2)c1.
What is the InChIKey of 2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The InChIKey is FOSFNAZTYAGRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c1-26-16-7-2-3-8-17(16)27(24,25)22-14-6-4-5-13(11-14)15-9-10-18-20-19-12-23(18)21-15/h2-12,22H,1H3.
What are the key properties of 2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 381.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 121037099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).