3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine

C15H18N4O3S — CID 121061006

IUPAC3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCOc1ccccc1S(=O)(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C15H18N4O3S/c1-22-13-5-2-3-6-14(13)23(20,21)19-11-9-18(10-12-19)15-7-4-8-16-17-15/h2-8H,9-12H2,1H3
InChIKeyZFEZYJCAMAKRGU-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.00
Rot. Bonds4

About 3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine

3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 121061006) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID121061006
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCOc1ccccc1S(=O)(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C15H18N4O3S/c1-22-13-5-2-3-6-14(13)23(20,21)19-11-9-18(10-12-19)15-7-4-8-16-17-15/h2-8H,9-12H2,1H3
InChIKeyZFEZYJCAMAKRGU-UHFFFAOYSA-N
XLogP1.00
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060951
1-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 122335122
4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 122335405
3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 90539670
3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060926
3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060911
6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347561
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638530
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656
3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060962
3-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060936
(2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060283

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (CID 121061006) is 3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is COc1ccccc1S(=O)(=O)N1CCN(c2cccnn2)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is ZFEZYJCAMAKRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-22-13-5-2-3-6-14(13)23(20,21)19-11-9-18(10-12-19)15-7-4-8-16-17-15/h2-8H,9-12H2,1H3.
What are the key properties of 3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 334.40 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 121061006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).