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

C22H26N6O3S — CID 122347520

IUPAC6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1C
InChIInChI=1S/C22H26N6O3S/c1-3-31-19-8-7-18(16-17(19)2)32(29,30)28-14-12-27(13-15-28)22-10-9-21(25-26-22)24-20-6-4-5-11-23-20/h4-11,16H,3,12-15H2,1-2H3,(H,23,24,25)
InChIKeyTWQBTCYVVQWGOF-UHFFFAOYSA-N
MW454.56 g/mol
LogP2.83
Rot. Bonds7

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

6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine (PubChem CID 122347520) has the molecular formula C22H26N6O3S and a molecular weight of 454.56 g/mol. Its IUPAC name is 6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
PubChem CID122347520
Molecular FormulaC22H26N6O3S
Molecular Weight454.56 g/mol
Exact Mass454.18
IUPAC Name6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1C
InChIInChI=1S/C22H26N6O3S/c1-3-31-19-8-7-18(16-17(19)2)32(29,30)28-14-12-27(13-15-28)22-10-9-21(25-26-22)24-20-6-4-5-11-23-20/h4-11,16H,3,12-15H2,1-2H3,(H,23,24,25)
InChIKeyTWQBTCYVVQWGOF-UHFFFAOYSA-N
XLogP2.83
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 121064991
6-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347522
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 50945710
3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341352
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339376
6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347561
N-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 121064974
6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347534
2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122347434
4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-ylpyrimidine
CID 122340750
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122348991
N-(5-methyl-2-pyridinyl)-6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 56922339

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine?
The IUPAC name of 6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine (CID 122347520) is 6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine.
What is the SMILES notation for 6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine?
The canonical SMILES for 6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine is CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1C.
What is the InChIKey of 6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine?
The InChIKey is TWQBTCYVVQWGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3S/c1-3-31-19-8-7-18(16-17(19)2)32(29,30)28-14-12-27(13-15-28)22-10-9-21(25-26-22)24-20-6-4-5-11-23-20/h4-11,16H,3,12-15H2,1-2H3,(H,23,24,25).
What are the key properties of 6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine?
6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine has a molecular weight of 454.56 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine is sourced from PubChem (CID 122347520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).