6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine

C20H22N6O3S — CID 42111916

IUPAC6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1
InChIInChI=1S/C20H22N6O3S/c1-29-17-4-6-18(7-5-17)30(27,28)26-13-11-25(12-14-26)20-9-8-19(23-24-20)22-16-3-2-10-21-15-16/h2-10,15H,11-14H2,1H3,(H,22,23)
InChIKeyAFJJGFWDJIVAOL-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.13
Rot. Bonds6

About 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine

6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine (PubChem CID 42111916) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
PubChem CID42111916
Molecular FormulaC20H22N6O3S
Molecular Weight426.50 g/mol
Exact Mass426.15
IUPAC Name6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1
InChIInChI=1S/C20H22N6O3S/c1-29-17-4-6-18(7-5-17)30(27,28)26-13-11-25(12-14-26)20-9-8-19(23-24-20)22-16-3-2-10-21-15-16/h2-10,15H,11-14H2,1H3,(H,22,23)
InChIKeyAFJJGFWDJIVAOL-UHFFFAOYSA-N
XLogP2.13
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine
CID 44827467
6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 50946449
N-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 121065024
6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 122347815
6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine
CID 122347764
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 121065023
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 50947847
6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 121065068
6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 122347759
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053001
6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 121065264
2-(4-propan-2-ylsulfonylphenyl)-1-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122347651

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
The IUPAC name of 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine (CID 42111916) is 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine.
What is the SMILES notation for 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
The canonical SMILES for 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine is COc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
The InChIKey is AFJJGFWDJIVAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c1-29-17-4-6-18(7-5-17)30(27,28)26-13-11-25(12-14-26)20-9-8-19(23-24-20)22-16-3-2-10-21-15-16/h2-10,15H,11-14H2,1H3,(H,22,23).
What are the key properties of 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine has a molecular weight of 426.50 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine is sourced from PubChem (CID 42111916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).