6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine

C20H29N5O4S — CID 121053024

IUPAC6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(N(C)C)nn3)CC2)c(OCC)c1
InChIInChI=1S/C20H29N5O4S/c1-5-28-16-7-8-18(17(15-16)29-6-2)30(26,27)25-13-11-24(12-14-25)20-10-9-19(21-22-20)23(3)4/h7-10,15H,5-6,11-14H2,1-4H3
InChIKeyXBHZJMWNLNJJHB-UHFFFAOYSA-N
MW435.55 g/mol
LogP1.85
Rot. Bonds8

About 6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine

6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine (PubChem CID 121053024) has the molecular formula C20H29N5O4S and a molecular weight of 435.55 g/mol. Its IUPAC name is 6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
PubChem CID121053024
Molecular FormulaC20H29N5O4S
Molecular Weight435.55 g/mol
Exact Mass435.19
IUPAC Name6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(N(C)C)nn3)CC2)c(OCC)c1
InChIInChI=1S/C20H29N5O4S/c1-5-28-16-7-8-18(17(15-16)29-6-2)30(26,27)25-13-11-24(12-14-25)20-10-9-19(21-22-20)23(3)4/h7-10,15H,5-6,11-14H2,1-4H3
InChIKeyXBHZJMWNLNJJHB-UHFFFAOYSA-N
XLogP1.85
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 121053243
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053007
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053001
3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060962
6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 122349718
4-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343394
N,N-dimethyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 121053040
4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968919
3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341352
3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279744
3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine
CID 90539738
5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 122334219

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
The IUPAC name of 6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine (CID 121053024) is 6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
The canonical SMILES for 6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine is CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(N(C)C)nn3)CC2)c(OCC)c1.
What is the InChIKey of 6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
The InChIKey is XBHZJMWNLNJJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O4S/c1-5-28-16-7-8-18(17(15-16)29-6-2)30(26,27)25-13-11-24(12-14-25)20-10-9-19(21-22-20)23(3)4/h7-10,15H,5-6,11-14H2,1-4H3.
What are the key properties of 6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine has a molecular weight of 435.55 g/mol, XLogP of 1.85, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine is sourced from PubChem (CID 121053024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).