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

C20H22N6O2S — CID 50947847

IUPAC6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1
InChIInChI=1S/C20H22N6O2S/c1-16-2-4-18(5-3-16)29(27,28)26-14-12-25(13-15-26)20-7-6-19(23-24-20)22-17-8-10-21-11-9-17/h2-11H,12-15H2,1H3,(H,21,22,23)
InChIKeyKQQUQIBDRWVFMT-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.43
Rot. Bonds5

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

6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine (PubChem CID 50947847) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
PubChem CID50947847
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1
InChIInChI=1S/C20H22N6O2S/c1-16-2-4-18(5-3-16)29(27,28)26-14-12-25(13-15-26)20-7-6-19(23-24-20)22-17-8-10-21-11-9-17/h2-11H,12-15H2,1H3,(H,21,22,23)
InChIKeyKQQUQIBDRWVFMT-UHFFFAOYSA-N
XLogP2.43
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine
CID 26843160
6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 121065264
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 50945710
6-(4-ethylsulfonylpiperazin-1-yl)-N-(4-methylphenyl)pyridazin-3-amine
CID 7178092
6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 42112005
N-(4-methylphenyl)-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 26843158
6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-4-ylpyridazin-3-amine
CID 122348021
N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 26843164
1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 121065235
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine
CID 44827467
N-(5-methyl-2-pyridinyl)-6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 56922339
6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 122348014

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine?
The IUPAC name of 6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine (CID 50947847) is 6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine.
What is the SMILES notation for 6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine?
The canonical SMILES for 6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine is Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine?
The InChIKey is KQQUQIBDRWVFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-16-2-4-18(5-3-16)29(27,28)26-14-12-25(13-15-26)20-7-6-19(23-24-20)22-17-8-10-21-11-9-17/h2-11H,12-15H2,1H3,(H,21,22,23).
What are the key properties of 6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine?
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine has a molecular weight of 410.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine is sourced from PubChem (CID 50947847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).