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

C24H20N6O2S — CID 16873744

IUPAC2-ethyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C24H20N6O2S/c1-2-17-6-3-4-9-22(17)33(31,32)29-20-8-5-7-19(16-20)21-10-11-23-26-27-24(30(23)28-21)18-12-14-25-15-13-18/h3-16,29H,2H2,1H3
InChIKeyBUGFWEHMKWWGCH-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.22
Rot. Bonds6

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

2-ethyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 16873744) has the molecular formula C24H20N6O2S and a molecular weight of 456.53 g/mol. Its IUPAC name is 2-ethyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
PubChem CID16873744
Molecular FormulaC24H20N6O2S
Molecular Weight456.53 g/mol
Exact Mass456.14
IUPAC Name2-ethyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C24H20N6O2S/c1-2-17-6-3-4-9-22(17)33(31,32)29-20-8-5-7-19(16-20)21-10-11-23-26-27-24(30(23)28-21)18-12-14-25-15-13-18/h3-16,29H,2H2,1H3
InChIKeyBUGFWEHMKWWGCH-UHFFFAOYSA-N
XLogP4.22
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-ethyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (CID 16873744) is 2-ethyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-ethyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-ethyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is CCc1ccccc1S(=O)(=O)Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1.
What is the InChIKey of 2-ethyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The InChIKey is BUGFWEHMKWWGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2S/c1-2-17-6-3-4-9-22(17)33(31,32)29-20-8-5-7-19(16-20)21-10-11-23-26-27-24(30(23)28-21)18-12-14-25-15-13-18/h3-16,29H,2H2,1H3.
What are the key properties of 2-ethyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
2-ethyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 456.53 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16873744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).