N-(6-isoquinolin-8-ylpyridazin-3-yl)-4-methylbenzenesulfonamide

C20H16N4O2S — CID 162648702

IUPACN-(6-isoquinolin-8-ylpyridazin-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4ccncc34)nn2)cc1
InChIInChI=1S/C20H16N4O2S/c1-14-5-7-16(8-6-14)27(25,26)24-20-10-9-19(22-23-20)17-4-2-3-15-11-12-21-13-18(15)17/h2-13H,1H3,(H,23,24)
InChIKeyAHIPCGFLKFIEKL-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.80
Rot. Bonds4

About N-(6-isoquinolin-8-ylpyridazin-3-yl)-4-methylbenzenesulfonamide

N-(6-isoquinolin-8-ylpyridazin-3-yl)-4-methylbenzenesulfonamide (PubChem CID 162648702) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(6-isoquinolin-8-ylpyridazin-3-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-isoquinolin-8-ylpyridazin-3-yl)-4-methylbenzenesulfonamide
PubChem CID162648702
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN-(6-isoquinolin-8-ylpyridazin-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4ccncc34)nn2)cc1
InChIInChI=1S/C20H16N4O2S/c1-14-5-7-16(8-6-14)27(25,26)24-20-10-9-19(22-23-20)17-4-2-3-15-11-12-21-13-18(15)17/h2-13H,1H3,(H,23,24)
InChIKeyAHIPCGFLKFIEKL-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 N-(6-isoquinolin-8-ylpyridazin-3-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(6-isoquinolin-8-ylpyridazin-3-yl)-4-methylbenzenesulfonamide (CID 162648702) is N-(6-isoquinolin-8-ylpyridazin-3-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(6-isoquinolin-8-ylpyridazin-3-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(6-isoquinolin-8-ylpyridazin-3-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4ccncc34)nn2)cc1.
What is the InChIKey of N-(6-isoquinolin-8-ylpyridazin-3-yl)-4-methylbenzenesulfonamide?
The InChIKey is AHIPCGFLKFIEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-14-5-7-16(8-6-14)27(25,26)24-20-10-9-19(22-23-20)17-4-2-3-15-11-12-21-13-18(15)17/h2-13H,1H3,(H,23,24).
What are the key properties of N-(6-isoquinolin-8-ylpyridazin-3-yl)-4-methylbenzenesulfonamide?
N-(6-isoquinolin-8-ylpyridazin-3-yl)-4-methylbenzenesulfonamide 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 N-(6-isoquinolin-8-ylpyridazin-3-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 162648702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).