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

C17H23N5O3S — CID 121053001

IUPAC6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(N(C)C)nn3)CC2)cc1
InChIInChI=1S/C17H23N5O3S/c1-20(2)16-8-9-17(19-18-16)21-10-12-22(13-11-21)26(23,24)15-6-4-14(25-3)5-7-15/h4-9H,10-13H2,1-3H3
InChIKeyOYKXSILJXGBQHN-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.06
Rot. Bonds5

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

6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine (PubChem CID 121053001) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
PubChem CID121053001
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(N(C)C)nn3)CC2)cc1
InChIInChI=1S/C17H23N5O3S/c1-20(2)16-8-9-17(19-18-16)21-10-12-22(13-11-21)26(23,24)15-6-4-14(25-3)5-7-15/h4-9H,10-13H2,1-3H3
InChIKeyOYKXSILJXGBQHN-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 121053040
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine
CID 44827467
N,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 121053157
6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053024
5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 122334219
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921805
4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 42473791
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781304
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053007
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 42111916
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 122334067
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
The IUPAC name of 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine (CID 121053001) is 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
The canonical SMILES for 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine is COc1ccc(S(=O)(=O)N2CCN(c3ccc(N(C)C)nn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
The InChIKey is OYKXSILJXGBQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-20(2)16-8-9-17(19-18-16)21-10-12-22(13-11-21)26(23,24)15-6-4-14(25-3)5-7-15/h4-9H,10-13H2,1-3H3.
What are the key properties of 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine has a molecular weight of 377.47 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 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,N-dimethylpyridazin-3-amine is sourced from PubChem (CID 121053001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).