3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine

C18H24N4O5S — CID 50947976

IUPAC3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)nn3)CC2)c(OC)c1OC
InChIInChI=1S/C18H24N4O5S/c1-13-5-8-16(20-19-13)21-9-11-22(12-10-21)28(23,24)15-7-6-14(25-2)17(26-3)18(15)27-4/h5-8H,9-12H2,1-4H3
InChIKeyPFHOAVFQDBCLLP-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.32
Rot. Bonds6

About 3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine

3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 50947976) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID50947976
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)nn3)CC2)c(OC)c1OC
InChIInChI=1S/C18H24N4O5S/c1-13-5-8-16(20-19-13)21-9-11-22(12-10-21)28(23,24)15-7-6-14(25-2)17(26-3)18(15)27-4/h5-8H,9-12H2,1-4H3
InChIKeyPFHOAVFQDBCLLP-UHFFFAOYSA-N
XLogP1.32
TPSA94.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 121061024
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052
2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 121053269
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947386
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947962
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341372
1-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 122335122
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine
CID 42110751
4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 122335405
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine
CID 121060849
3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341352
3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341348

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (CID 50947976) is 3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is COc1ccc(S(=O)(=O)N2CCN(c3ccc(C)nn3)CC2)c(OC)c1OC.
What is the InChIKey of 3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is PFHOAVFQDBCLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-13-5-8-16(20-19-13)21-9-11-22(12-10-21)28(23,24)15-7-6-14(25-2)17(26-3)18(15)27-4/h5-8H,9-12H2,1-4H3.
What are the key properties of 3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 408.48 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 50947976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).