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

C24H19N5O3S — CID 16873522

IUPACN-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-phenoxybenzenesulfonamide
SMILESCc1nnc2ccc(-c3cccc(NS(=O)(=O)c4ccc(Oc5ccccc5)cc4)c3)nn12
InChIInChI=1S/C24H19N5O3S/c1-17-25-26-24-15-14-23(27-29(17)24)18-6-5-7-19(16-18)28-33(30,31)22-12-10-21(11-13-22)32-20-8-3-2-4-9-20/h2-16,28H,1H3
InChIKeyVZOJTPFMUDZQRJ-UHFFFAOYSA-N
MW457.52 g/mol
LogP4.69
Rot. Bonds6

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

N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-phenoxybenzenesulfonamide (PubChem CID 16873522) has the molecular formula C24H19N5O3S and a molecular weight of 457.52 g/mol. Its IUPAC name is N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-phenoxybenzenesulfonamide
PubChem CID16873522
Molecular FormulaC24H19N5O3S
Molecular Weight457.52 g/mol
Exact Mass457.12
IUPAC NameN-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-phenoxybenzenesulfonamide
SMILESCc1nnc2ccc(-c3cccc(NS(=O)(=O)c4ccc(Oc5ccccc5)cc4)c3)nn12
InChIInChI=1S/C24H19N5O3S/c1-17-25-26-24-15-14-23(27-29(17)24)18-6-5-7-19(16-18)28-33(30,31)22-12-10-21(11-13-22)32-20-8-3-2-4-9-20/h2-16,28H,1H3
InChIKeyVZOJTPFMUDZQRJ-UHFFFAOYSA-N
XLogP4.69
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873534
N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524184
4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873824
4-ethoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873747
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide
CID 18569028
4-butoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873741
4-iodo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 43971717
3,5-dimethyl-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873782
N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide
CID 16873759
3,4-dichloro-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16829415
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090
N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide
CID 7524258

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-phenoxybenzenesulfonamide?
The IUPAC name of N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-phenoxybenzenesulfonamide (CID 16873522) is N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-phenoxybenzenesulfonamide is Cc1nnc2ccc(-c3cccc(NS(=O)(=O)c4ccc(Oc5ccccc5)cc4)c3)nn12.
What is the InChIKey of N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-phenoxybenzenesulfonamide?
The InChIKey is VZOJTPFMUDZQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3S/c1-17-25-26-24-15-14-23(27-29(17)24)18-6-5-7-19(16-18)28-33(30,31)22-12-10-21(11-13-22)32-20-8-3-2-4-9-20/h2-16,28H,1H3.
What are the key properties of N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-phenoxybenzenesulfonamide?
N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-phenoxybenzenesulfonamide has a molecular weight of 457.52 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 16873522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).