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

C19H15N5O3S — CID 7524143

IUPAC4-acetyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccc4nncn4n3)cc2)cc1
InChIInChI=1S/C19H15N5O3S/c1-13(25)14-4-8-17(9-5-14)28(26,27)23-16-6-2-15(3-7-16)18-10-11-19-21-20-12-24(19)22-18/h2-12,23H,1H3
InChIKeyPHWYEAUPUUIRPW-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.79
Rot. Bonds5

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

4-acetyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 7524143) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is 4-acetyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
PubChem CID7524143
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC Name4-acetyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccc4nncn4n3)cc2)cc1
InChIInChI=1S/C19H15N5O3S/c1-13(25)14-4-8-17(9-5-14)28(26,27)23-16-6-2-15(3-7-16)18-10-11-19-21-20-12-24(19)22-18/h2-12,23H,1H3
InChIKeyPHWYEAUPUUIRPW-UHFFFAOYSA-N
XLogP2.79
TPSA106.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (CID 7524143) is 4-acetyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccc4nncn4n3)cc2)cc1.
What is the InChIKey of 4-acetyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The InChIKey is PHWYEAUPUUIRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S/c1-13(25)14-4-8-17(9-5-14)28(26,27)23-16-6-2-15(3-7-16)18-10-11-19-21-20-12-24(19)22-18/h2-12,23H,1H3.
What are the key properties of 4-acetyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
4-acetyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 393.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7524143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).