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

C17H12BrN5O2S — CID 16873498

IUPAC4-bromo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccc3nncn3n2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H12BrN5O2S/c18-13-3-7-15(8-4-13)26(24,25)22-14-5-1-12(2-6-14)16-9-10-17-20-19-11-23(17)21-16/h1-11,22H
InChIKeyOOHNCWDBIRDSGJ-UHFFFAOYSA-N
MW430.29 g/mol
LogP3.35
Rot. Bonds4

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

4-bromo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 16873498) has the molecular formula C17H12BrN5O2S and a molecular weight of 430.29 g/mol. Its IUPAC name is 4-bromo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
PubChem CID16873498
Molecular FormulaC17H12BrN5O2S
Molecular Weight430.29 g/mol
Exact Mass428.99
IUPAC Name4-bromo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccc3nncn3n2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H12BrN5O2S/c18-13-3-7-15(8-4-13)26(24,25)22-14-5-1-12(2-6-14)16-9-10-17-20-19-11-23(17)21-16/h1-11,22H
InChIKeyOOHNCWDBIRDSGJ-UHFFFAOYSA-N
XLogP3.35
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-propyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 121037173
3-acetyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 121037183
2,4-difluoro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524163
2,4-dimethyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524117
4-chloro-2,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 121037148
N-(4-bromophenyl)-4-iodobenzenesulfonamide
CID 990484
N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524184
4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 16802745
N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532323
4-phenyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873652
N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158095
4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
CID 875203

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (CID 16873498) is 4-bromo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2ccc3nncn3n2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The InChIKey is OOHNCWDBIRDSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5O2S/c18-13-3-7-15(8-4-13)26(24,25)22-14-5-1-12(2-6-14)16-9-10-17-20-19-11-23(17)21-16/h1-11,22H.
What are the key properties of 4-bromo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
4-bromo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 430.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16873498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).