6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine

C21H23N5O3S — CID 44827467

IUPAC6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C21H23N5O3S/c1-29-18-7-9-19(10-8-18)30(27,28)26-15-13-25(14-16-26)21-12-11-20(23-24-21)22-17-5-3-2-4-6-17/h2-12H,13-16H2,1H3,(H,22,23)
InChIKeyMWTZXSMBJQRMGM-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.74
Rot. Bonds6

About 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine

6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine (PubChem CID 44827467) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine
PubChem CID44827467
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C21H23N5O3S/c1-29-18-7-9-19(10-8-18)30(27,28)26-15-13-25(14-16-26)21-12-11-20(23-24-21)22-17-5-3-2-4-6-17/h2-12H,13-16H2,1H3,(H,22,23)
InChIKeyMWTZXSMBJQRMGM-UHFFFAOYSA-N
XLogP2.74
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.74
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
6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 50946449
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 50947847
N-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 44827469
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053001
6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine
CID 26843160
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 50945710
N-(5-methyl-2-pyridinyl)-6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 56922339
N-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 121064974
N-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 121065024
6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 121065264
6-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 121064991

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine?
The IUPAC name of 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine (CID 44827467) is 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine.
What is the SMILES notation for 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine?
The canonical SMILES for 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine is COc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccccc4)nn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine?
The InChIKey is MWTZXSMBJQRMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-29-18-7-9-19(10-8-18)30(27,28)26-15-13-25(14-16-26)21-12-11-20(23-24-21)22-17-5-3-2-4-6-17/h2-12H,13-16H2,1H3,(H,22,23).
What are the key properties of 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine?
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine has a molecular weight of 425.51 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine is sourced from PubChem (CID 44827467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).