3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine

C16H19ClN4O3S — CID 121061024

IUPAC3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(C)nn2)CC1
InChIInChI=1S/C16H19ClN4O3S/c1-12-3-6-16(19-18-12)20-7-9-21(10-8-20)25(22,23)15-11-13(17)4-5-14(15)24-2/h3-6,11H,7-10H2,1-2H3
InChIKeyNAVAEODBFIURPX-UHFFFAOYSA-N
MW382.87 g/mol
LogP1.96
Rot. Bonds4

About 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine

3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine (PubChem CID 121061024) has the molecular formula C16H19ClN4O3S and a molecular weight of 382.87 g/mol. Its IUPAC name is 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
PubChem CID121061024
Molecular FormulaC16H19ClN4O3S
Molecular Weight382.87 g/mol
Exact Mass382.09
IUPAC Name3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(C)nn2)CC1
InChIInChI=1S/C16H19ClN4O3S/c1-12-3-6-16(19-18-12)20-7-9-21(10-8-20)25(22,23)15-11-13(17)4-5-14(15)24-2/h3-6,11H,7-10H2,1-2H3
InChIKeyNAVAEODBFIURPX-UHFFFAOYSA-N
XLogP1.96
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 122339150
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060951
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine
CID 121060849
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490660
3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 50947976
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052
6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081668
3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334482
4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122342145
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947386
6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine
CID 122351859
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine
CID 42110751

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
The IUPAC name of 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine (CID 121061024) is 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine.
What is the SMILES notation for 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
The canonical SMILES for 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine is COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(C)nn2)CC1.
What is the InChIKey of 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
The InChIKey is NAVAEODBFIURPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3S/c1-12-3-6-16(19-18-12)20-7-9-21(10-8-20)25(22,23)15-11-13(17)4-5-14(15)24-2/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine has a molecular weight of 382.87 g/mol, XLogP of 1.96, 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]-6-methylpyridazine is sourced from PubChem (CID 121061024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).