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

C20H21ClN6O3S — CID 121064991

IUPAC6-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1Cl
InChIInChI=1S/C20H21ClN6O3S/c1-30-17-6-5-15(14-16(17)21)31(28,29)27-12-10-26(11-13-27)20-8-7-19(24-25-20)23-18-4-2-3-9-22-18/h2-9,14H,10-13H2,1H3,(H,22,23,24)
InChIKeyULARIIGXTKUOHX-UHFFFAOYSA-N
MW460.95 g/mol
LogP2.79
Rot. Bonds6

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

6-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine (PubChem CID 121064991) has the molecular formula C20H21ClN6O3S and a molecular weight of 460.95 g/mol. Its IUPAC name is 6-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
PubChem CID121064991
Molecular FormulaC20H21ClN6O3S
Molecular Weight460.95 g/mol
Exact Mass460.11
IUPAC Name6-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1Cl
InChIInChI=1S/C20H21ClN6O3S/c1-30-17-6-5-15(14-16(17)21)31(28,29)27-12-10-26(11-13-27)20-8-7-19(24-25-20)23-18-4-2-3-9-22-18/h2-9,14H,10-13H2,1H3,(H,22,23,24)
InChIKeyULARIIGXTKUOHX-UHFFFAOYSA-N
XLogP2.79
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.95
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347522
6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347520
6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347561
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 50945710
N-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 121064974
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122348991
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine
CID 44827467
2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122347434
N-pyridin-2-yl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 50947239
6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122349853
4-[6-(pyridin-2-ylamino)pyridazin-3-yl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 121064963
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine?
The IUPAC name of 6-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine (CID 121064991) is 6-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine.
What is the SMILES notation for 6-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine?
The canonical SMILES for 6-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine is COc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1Cl.
What is the InChIKey of 6-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine?
The InChIKey is ULARIIGXTKUOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O3S/c1-30-17-6-5-15(14-16(17)21)31(28,29)27-12-10-26(11-13-27)20-8-7-19(24-25-20)23-18-4-2-3-9-22-18/h2-9,14H,10-13H2,1H3,(H,22,23,24).
What are the key properties of 6-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine?
6-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine has a molecular weight of 460.95 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine is sourced from PubChem (CID 121064991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).