6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine

C19H18Cl2N6O2S — CID 121065023

IUPAC6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1
InChIInChI=1S/C19H18Cl2N6O2S/c20-14-3-4-16(21)17(12-14)30(28,29)27-10-8-26(9-11-27)19-6-5-18(24-25-19)23-15-2-1-7-22-13-15/h1-7,12-13H,8-11H2,(H,23,24)
InChIKeyFPYCLGAWXHWPSI-UHFFFAOYSA-N
MW465.37 g/mol
LogP3.43
Rot. Bonds5

About 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine

6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine (PubChem CID 121065023) has the molecular formula C19H18Cl2N6O2S and a molecular weight of 465.37 g/mol. Its IUPAC name is 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
PubChem CID121065023
Molecular FormulaC19H18Cl2N6O2S
Molecular Weight465.37 g/mol
Exact Mass464.06
IUPAC Name6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1
InChIInChI=1S/C19H18Cl2N6O2S/c20-14-3-4-16(21)17(12-14)30(28,29)27-10-8-26(9-11-27)19-6-5-18(24-25-19)23-15-2-1-7-22-13-15/h1-7,12-13H,8-11H2,(H,23,24)
InChIKeyFPYCLGAWXHWPSI-UHFFFAOYSA-N
XLogP3.43
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 121065068
6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 50946449
(2,4-dichlorophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 42111892
6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine
CID 122347764
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-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 122347759
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 121052944
4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 121053132
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490634
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053007

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
The IUPAC name of 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine (CID 121065023) is 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine.
What is the SMILES notation for 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
The canonical SMILES for 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine is O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1.
What is the InChIKey of 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
The InChIKey is FPYCLGAWXHWPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N6O2S/c20-14-3-4-16(21)17(12-14)30(28,29)27-10-8-26(9-11-27)19-6-5-18(24-25-19)23-15-2-1-7-22-13-15/h1-7,12-13H,8-11H2,(H,23,24).
What are the key properties of 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine has a molecular weight of 465.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine is sourced from PubChem (CID 121065023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).