3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide

C17H23N5O4S — CID 113040299

IUPAC3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)nn2)cc1OC
InChIInChI=1S/C17H23N5O4S/c1-21-8-10-22(11-9-21)17-7-6-16(18-19-17)20-27(23,24)13-4-5-14(25-2)15(12-13)26-3/h4-7,12H,8-11H2,1-3H3,(H,18,20)
InChIKeyPQMNCEAQVBROSN-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.05
Rot. Bonds6

About 3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide

3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113040299) has the molecular formula C17H23N5O4S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
PubChem CID113040299
Molecular FormulaC17H23N5O4S
Molecular Weight393.47 g/mol
Exact Mass393.15
IUPAC Name3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)nn2)cc1OC
InChIInChI=1S/C17H23N5O4S/c1-21-8-10-22(11-9-21)17-7-6-16(18-19-17)20-27(23,24)13-4-5-14(25-2)15(12-13)26-3/h4-7,12H,8-11H2,1-3H3,(H,18,20)
InChIKeyPQMNCEAQVBROSN-UHFFFAOYSA-N
XLogP1.05
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide
CID 113045402
3,4-dimethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 16810402
4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113040294
2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113039038
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
2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039736
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875
4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113038808
N-[6-(azepan-1-yl)pyridazin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113045406
N-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113045419
3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887427

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide (CID 113040299) is 3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)nn2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is PQMNCEAQVBROSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4S/c1-21-8-10-22(11-9-21)17-7-6-16(18-19-17)20-27(23,24)13-4-5-14(25-2)15(12-13)26-3/h4-7,12H,8-11H2,1-3H3,(H,18,20).
What are the key properties of 3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide?
3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 393.47 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113040299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).