6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine

C21H22N6O2S — CID 122347759

IUPAC6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1
InChIInChI=1S/C21H22N6O2S/c28-30(29,16-10-18-5-2-1-3-6-18)27-14-12-26(13-15-27)21-9-8-20(24-25-21)23-19-7-4-11-22-17-19/h1-11,16-17H,12-15H2,(H,23,24)/b16-10+
InChIKeyDOBPEKBESQCEQH-MHWRWJLKSA-N
MW422.51 g/mol
LogP2.74
Rot. Bonds6

About 6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine

6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine (PubChem CID 122347759) has the molecular formula C21H22N6O2S and a molecular weight of 422.51 g/mol. Its IUPAC name is 6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
PubChem CID122347759
Molecular FormulaC21H22N6O2S
Molecular Weight422.51 g/mol
Exact Mass422.15
IUPAC Name6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1
InChIInChI=1S/C21H22N6O2S/c28-30(29,16-10-18-5-2-1-3-6-18)27-14-12-26(13-15-27)21-9-8-20(24-25-21)23-19-7-4-11-22-17-19/h1-11,16-17H,12-15H2,(H,23,24)/b16-10+
InChIKeyDOBPEKBESQCEQH-MHWRWJLKSA-N
XLogP2.74
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 50946449
N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122351509
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-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 42111916
6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 122347815
N-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 121065024
6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 121065068
6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347259
pyridin-4-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347569
1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26592122
1-adamantyl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347614

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
The IUPAC name of 6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine (CID 122347759) is 6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine.
What is the SMILES notation for 6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
The canonical SMILES for 6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine is O=S(=O)(/C=C/c1ccccc1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1.
What is the InChIKey of 6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
The InChIKey is DOBPEKBESQCEQH-MHWRWJLKSA-N. The full InChI is InChI=1S/C21H22N6O2S/c28-30(29,16-10-18-5-2-1-3-6-18)27-14-12-26(13-15-27)21-9-8-20(24-25-21)23-19-7-4-11-22-17-19/h1-11,16-17H,12-15H2,(H,23,24)/b16-10+.
What are the key properties of 6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine has a molecular weight of 422.51 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine is sourced from PubChem (CID 122347759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).