3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine

C15H17ClN4O3S — CID 121060951

IUPAC3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C15H17ClN4O3S/c1-23-13-5-4-12(16)11-14(13)24(21,22)20-9-7-19(8-10-20)15-3-2-6-17-18-15/h2-6,11H,7-10H2,1H3
InChIKeyYGMACDMUQJGWAE-UHFFFAOYSA-N
MW368.85 g/mol
LogP1.65
Rot. Bonds4

About 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine

3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 121060951) has the molecular formula C15H17ClN4O3S and a molecular weight of 368.85 g/mol. Its IUPAC name is 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID121060951
Molecular FormulaC15H17ClN4O3S
Molecular Weight368.85 g/mol
Exact Mass368.07
IUPAC Name3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C15H17ClN4O3S/c1-23-13-5-4-12(16)11-14(13)24(21,22)20-9-7-19(8-10-20)15-3-2-6-17-18-15/h2-6,11H,7-10H2,1H3
InChIKeyYGMACDMUQJGWAE-UHFFFAOYSA-N
XLogP1.65
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121061006
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 121061024
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 122339150
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490660
3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060926
4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122342145
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine
CID 121060849
3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060962
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
3-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060936
6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine
CID 122351859
2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]benzonitrile
CID 113080892

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (CID 121060951) is 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cccnn2)CC1.
What is the InChIKey of 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is YGMACDMUQJGWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3S/c1-23-13-5-4-12(16)11-14(13)24(21,22)20-9-7-19(8-10-20)15-3-2-6-17-18-15/h2-6,11H,7-10H2,1H3.
What are the key properties of 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 368.85 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 121060951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).