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

C18H14FN5O3S — CID 7524078

IUPAC2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4nncn4n3)c2)c(F)c1
InChIInChI=1S/C18H14FN5O3S/c1-27-14-5-7-17(15(19)10-14)28(25,26)23-13-4-2-3-12(9-13)16-6-8-18-21-20-11-24(18)22-16/h2-11,23H,1H3
InChIKeyQULOIFRUCCPUHF-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.74
Rot. Bonds5

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

2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 7524078) has the molecular formula C18H14FN5O3S and a molecular weight of 399.41 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
PubChem CID7524078
Molecular FormulaC18H14FN5O3S
Molecular Weight399.41 g/mol
Exact Mass399.08
IUPAC Name2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4nncn4n3)c2)c(F)c1
InChIInChI=1S/C18H14FN5O3S/c1-27-14-5-7-17(15(19)10-14)28(25,26)23-13-4-2-3-12(9-13)16-6-8-18-21-20-11-24(18)22-16/h2-11,23H,1H3
InChIKeyQULOIFRUCCPUHF-UHFFFAOYSA-N
XLogP2.74
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 121037099
2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873809
2,4-difluoro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524163
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide
CID 30288486
4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 16802745
2-fluoro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzenesulfonamide
CID 7488179
2,5-dimethoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]benzenesulfonamide
CID 91127010
3-(2,5-dimethoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 121036272
2,4-dimethyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524117
4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532185
2,5-difluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide
CID 16824987
1-acetyl-2-methyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 121037080

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (CID 7524078) is 2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4nncn4n3)c2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The InChIKey is QULOIFRUCCPUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O3S/c1-27-14-5-7-17(15(19)10-14)28(25,26)23-13-4-2-3-12(9-13)16-6-8-18-21-20-11-24(18)22-16/h2-11,23H,1H3.
What are the key properties of 2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 399.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7524078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).