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

C17H11F2N5O2S — CID 7161216

IUPAC2,5-difluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccc3nncn3n2)c1)c1cc(F)ccc1F
InChIInChI=1S/C17H11F2N5O2S/c18-12-4-5-14(19)16(9-12)27(25,26)23-13-3-1-2-11(8-13)15-6-7-17-21-20-10-24(17)22-15/h1-10,23H
InChIKeyBHGZDUSRBINURO-UHFFFAOYSA-N
MW387.37 g/mol
LogP2.87
Rot. Bonds4

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

2,5-difluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 7161216) has the molecular formula C17H11F2N5O2S and a molecular weight of 387.37 g/mol. Its IUPAC name is 2,5-difluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
PubChem CID7161216
Molecular FormulaC17H11F2N5O2S
Molecular Weight387.37 g/mol
Exact Mass387.06
IUPAC Name2,5-difluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccc3nncn3n2)c1)c1cc(F)ccc1F
InChIInChI=1S/C17H11F2N5O2S/c18-12-4-5-14(19)16(9-12)27(25,26)23-13-3-1-2-11(8-13)15-6-7-17-21-20-10-24(17)22-15/h1-10,23H
InChIKeyBHGZDUSRBINURO-UHFFFAOYSA-N
XLogP2.87
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,5-difluoro-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-difluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (CID 7161216) is 2,5-difluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2ccc3nncn3n2)c1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The InChIKey is BHGZDUSRBINURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5O2S/c18-12-4-5-14(19)16(9-12)27(25,26)23-13-3-1-2-11(8-13)15-6-7-17-21-20-10-24(17)22-15/h1-10,23H.
What are the key properties of 2,5-difluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
2,5-difluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 387.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7161216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).