6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine

C23H27N5O3S — CID 108774984

IUPAC6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine
SMILESCOc1ccc(-c2ccc(NCc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)nn2)cc1
InChIInChI=1S/C23H27N5O3S/c1-27-13-15-28(16-14-27)32(29,30)21-9-3-18(4-10-21)17-24-23-12-11-22(25-26-23)19-5-7-20(31-2)8-6-19/h3-12H,13-17H2,1-2H3,(H,24,26)
InChIKeyJCWLFPRHTKGJHP-UHFFFAOYSA-N
MW453.57 g/mol
LogP2.70
Rot. Bonds7

About 6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine

6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine (PubChem CID 108774984) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine
PubChem CID108774984
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC Name6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine
SMILESCOc1ccc(-c2ccc(NCc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)nn2)cc1
InChIInChI=1S/C23H27N5O3S/c1-27-13-15-28(16-14-27)32(29,30)21-9-3-18(4-10-21)17-24-23-12-11-22(25-26-23)19-5-7-20(31-2)8-6-19/h3-12H,13-17H2,1-2H3,(H,24,26)
InChIKeyJCWLFPRHTKGJHP-UHFFFAOYSA-N
XLogP2.70
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine with MolForge

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Related Compounds

N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-amine
CID 108775026
4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline
CID 86099382
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide
CID 113041801
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921805
1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol
CID 55680878
6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
CID 53073226
2-[(4-methoxyphenyl)methylamino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 1429409
3-methyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]quinoxalin-2-amine
CID 108774975
3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine
CID 113041805
6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine
CID 108775128
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111181910

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine?
The IUPAC name of 6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine (CID 108774984) is 6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine is COc1ccc(-c2ccc(NCc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)nn2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine?
The InChIKey is JCWLFPRHTKGJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-27-13-15-28(16-14-27)32(29,30)21-9-3-18(4-10-21)17-24-23-12-11-22(25-26-23)19-5-7-20(31-2)8-6-19/h3-12H,13-17H2,1-2H3,(H,24,26).
What are the key properties of 6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine?
6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine has a molecular weight of 453.57 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine is sourced from PubChem (CID 108774984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).