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

C17H12FN5O2S — CID 7524095

IUPAC3-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccc3nncn3n2)c1)c1cccc(F)c1
InChIInChI=1S/C17H12FN5O2S/c18-13-4-2-6-15(10-13)26(24,25)22-14-5-1-3-12(9-14)16-7-8-17-20-19-11-23(17)21-16/h1-11,22H
InChIKeyREQLJXIAEWDYOY-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.73
Rot. Bonds4

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

3-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 7524095) has the molecular formula C17H12FN5O2S and a molecular weight of 369.38 g/mol. Its IUPAC name is 3-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
PubChem CID7524095
Molecular FormulaC17H12FN5O2S
Molecular Weight369.38 g/mol
Exact Mass369.07
IUPAC Name3-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccc3nncn3n2)c1)c1cccc(F)c1
InChIInChI=1S/C17H12FN5O2S/c18-13-4-2-6-15(10-13)26(24,25)22-14-5-1-3-12(9-14)16-7-8-17-20-19-11-23(17)21-16/h1-11,22H
InChIKeyREQLJXIAEWDYOY-UHFFFAOYSA-N
XLogP2.73
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (CID 7524095) is 3-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2ccc3nncn3n2)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The InChIKey is REQLJXIAEWDYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2S/c18-13-4-2-6-15(10-13)26(24,25)22-14-5-1-3-12(9-14)16-7-8-17-20-19-11-23(17)21-16/h1-11,22H.
What are the key properties of 3-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
3-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 369.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7524095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).