2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide

C16H20N4O4S — CID 113039734

IUPAC2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C16H20N4O4S/c1-12-3-4-13(23-2)14(11-12)25(21,22)19-15-5-6-16(18-17-15)20-7-9-24-10-8-20/h3-6,11H,7-10H2,1-2H3,(H,17,19)
InChIKeyYNKIVPPPPINZLE-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.43
Rot. Bonds5

About 2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide

2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide (PubChem CID 113039734) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
PubChem CID113039734
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C16H20N4O4S/c1-12-3-4-13(23-2)14(11-12)25(21,22)19-15-5-6-16(18-17-15)20-7-9-24-10-8-20/h3-6,11H,7-10H2,1-2H3,(H,17,19)
InChIKeyYNKIVPPPPINZLE-UHFFFAOYSA-N
XLogP1.43
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039759
2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039736
2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113039038
2-methoxy-5-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122327866
N-(2-chloro-5-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 110362804
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 113092763
N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide
CID 113045402
N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 2999131
N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113031113
3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113040299
2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 123681136
N-[6-(azepan-1-yl)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113015954

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide (CID 113039734) is 2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1ccc(N2CCOCC2)nn1.
What is the InChIKey of 2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide?
The InChIKey is YNKIVPPPPINZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-12-3-4-13(23-2)14(11-12)25(21,22)19-15-5-6-16(18-17-15)20-7-9-24-10-8-20/h3-6,11H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide?
2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 113039734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).