4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide

C20H16N4O2S — CID 149094700

IUPAC4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4cccnc34)nn2)cc1
InChIInChI=1S/C20H16N4O2S/c1-14-7-9-16(10-8-14)27(25,26)24-19-12-11-18(22-23-19)17-6-2-4-15-5-3-13-21-20(15)17/h2-13H,1H3,(H,23,24)
InChIKeyQTGXPMJSEBIRGK-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.80
Rot. Bonds4

About 4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide

4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide (PubChem CID 149094700) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide
PubChem CID149094700
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4cccnc34)nn2)cc1
InChIInChI=1S/C20H16N4O2S/c1-14-7-9-16(10-8-14)27(25,26)24-19-12-11-18(22-23-19)17-6-2-4-15-5-3-13-21-20(15)17/h2-13H,1H3,(H,23,24)
InChIKeyQTGXPMJSEBIRGK-UHFFFAOYSA-N
XLogP3.80
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide (CID 149094700) is 4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4cccnc34)nn2)cc1.
What is the InChIKey of 4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide?
The InChIKey is QTGXPMJSEBIRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-14-7-9-16(10-8-14)27(25,26)24-19-12-11-18(22-23-19)17-6-2-4-15-5-3-13-21-20(15)17/h2-13H,1H3,(H,23,24).
What are the key properties of 4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide?
4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide has a molecular weight of 376.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 149094700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).