6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine

C19H20N6O2S — CID 50946449

IUPAC6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1
InChIInChI=1S/C19H20N6O2S/c26-28(27,17-6-2-1-3-7-17)25-13-11-24(12-14-25)19-9-8-18(22-23-19)21-16-5-4-10-20-15-16/h1-10,15H,11-14H2,(H,21,22)
InChIKeyXTNHPAUJOPBSOT-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.13
Rot. Bonds5

About 6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine

6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine (PubChem CID 50946449) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
PubChem CID50946449
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1
InChIInChI=1S/C19H20N6O2S/c26-28(27,17-6-2-1-3-7-17)25-13-11-24(12-14-25)19-9-8-18(22-23-19)21-16-5-4-10-20-15-16/h1-10,15H,11-14H2,(H,21,22)
InChIKeyXTNHPAUJOPBSOT-UHFFFAOYSA-N
XLogP2.13
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 42111916
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-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 122347759
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 121065023
6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 121065068
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine
CID 44827467
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 50947847
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 7287685
pyridin-4-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347569
6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 121065264

Frequently Asked Questions

What is the IUPAC name of 6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
The IUPAC name of 6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine (CID 50946449) is 6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine.
What is the SMILES notation for 6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
The canonical SMILES for 6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine is O=S(=O)(c1ccccc1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1.
What is the InChIKey of 6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
The InChIKey is XTNHPAUJOPBSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c26-28(27,17-6-2-1-3-7-17)25-13-11-24(12-14-25)19-9-8-18(22-23-19)21-16-5-4-10-20-15-16/h1-10,15H,11-14H2,(H,21,22).
What are the key properties of 6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine has a molecular weight of 396.48 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine is sourced from PubChem (CID 50946449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).