2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide

C16H20N4O5S — CID 113039736

IUPAC2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)nn2)c(OC)c1
InChIInChI=1S/C16H20N4O5S/c1-23-12-3-4-14(13(11-12)24-2)26(21,22)19-15-5-6-16(18-17-15)20-7-9-25-10-8-20/h3-6,11H,7-10H2,1-2H3,(H,17,19)
InChIKeyMZSWSBXTALRNAE-UHFFFAOYSA-N
MW380.43 g/mol
LogP1.13
Rot. Bonds6

About 2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide

2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide (PubChem CID 113039736) has the molecular formula C16H20N4O5S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
PubChem CID113039736
Molecular FormulaC16H20N4O5S
Molecular Weight380.43 g/mol
Exact Mass380.12
IUPAC Name2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)nn2)c(OC)c1
InChIInChI=1S/C16H20N4O5S/c1-23-12-3-4-14(13(11-12)24-2)26(21,22)19-15-5-6-16(18-17-15)20-7-9-25-10-8-20/h3-6,11H,7-10H2,1-2H3,(H,17,19)
InChIKeyMZSWSBXTALRNAE-UHFFFAOYSA-N
XLogP1.13
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039734
5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039759
2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113039038
2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122319263
2,4-dimethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 26843026
2,4-dimethoxy-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzenesulfonamide
CID 113039856
N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 2999131
N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide
CID 113045402
2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113010011
3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113040299
N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 19683207
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide (CID 113039736) is 2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)nn2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide?
The InChIKey is MZSWSBXTALRNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S/c1-23-12-3-4-14(13(11-12)24-2)26(21,22)19-15-5-6-16(18-17-15)20-7-9-25-10-8-20/h3-6,11H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide?
2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 113039736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).