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

C20H19N5O2S — CID 121037173

IUPAC4-propyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4nncn4n3)cc2)cc1
InChIInChI=1S/C20H19N5O2S/c1-2-3-15-4-10-18(11-5-15)28(26,27)24-17-8-6-16(7-9-17)19-12-13-20-22-21-14-25(20)23-19/h4-14,24H,2-3H2,1H3
InChIKeyQAZHFZACGUCNST-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.54
Rot. Bonds6

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

4-propyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 121037173) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-propyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
PubChem CID121037173
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name4-propyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4nncn4n3)cc2)cc1
InChIInChI=1S/C20H19N5O2S/c1-2-3-15-4-10-18(11-5-15)28(26,27)24-17-8-6-16(7-9-17)19-12-13-20-22-21-14-25(20)23-19/h4-14,24H,2-3H2,1H3
InChIKeyQAZHFZACGUCNST-UHFFFAOYSA-N
XLogP3.54
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873498
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-chloro-2,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 121037148
2,4-difluoro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524163
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen
CID 177246502
N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide
CID 17380992
N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524184
4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 50842192
2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532281
N-[4-(cyanomethyl)phenyl]-4-propylbenzenesulfonamide
CID 25042511
N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide
CID 6411940

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-propyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (CID 121037173) is 4-propyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-propyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-propyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4nncn4n3)cc2)cc1.
What is the InChIKey of 4-propyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The InChIKey is QAZHFZACGUCNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-2-3-15-4-10-18(11-5-15)28(26,27)24-17-8-6-16(7-9-17)19-12-13-20-22-21-14-25(20)23-19/h4-14,24H,2-3H2,1H3.
What are the key properties of 4-propyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
4-propyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 393.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 121037173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).