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

C17H12ClN5O2S — CID 7524146

IUPAC2-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccc3nncn3n2)cc1)c1ccccc1Cl
InChIInChI=1S/C17H12ClN5O2S/c18-14-3-1-2-4-16(14)26(24,25)22-13-7-5-12(6-8-13)15-9-10-17-20-19-11-23(17)21-15/h1-11,22H
InChIKeyWFMFNWYONQGFHH-UHFFFAOYSA-N
MW385.84 g/mol
LogP3.25
Rot. Bonds4

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

2-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 7524146) has the molecular formula C17H12ClN5O2S and a molecular weight of 385.84 g/mol. Its IUPAC name is 2-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
PubChem CID7524146
Molecular FormulaC17H12ClN5O2S
Molecular Weight385.84 g/mol
Exact Mass385.04
IUPAC Name2-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccc3nncn3n2)cc1)c1ccccc1Cl
InChIInChI=1S/C17H12ClN5O2S/c18-14-3-1-2-4-16(14)26(24,25)22-13-7-5-12(6-8-13)15-9-10-17-20-19-11-23(17)21-15/h1-11,22H
InChIKeyWFMFNWYONQGFHH-UHFFFAOYSA-N
XLogP3.25
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (CID 7524146) is 2-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2ccc3nncn3n2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The InChIKey is WFMFNWYONQGFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O2S/c18-14-3-1-2-4-16(14)26(24,25)22-13-7-5-12(6-8-13)15-9-10-17-20-19-11-23(17)21-15/h1-11,22H.
What are the key properties of 2-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
2-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 385.84 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7524146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).