3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine

C23H26N4O3S — CID 42110751

IUPAC3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1
InChIInChI=1S/C23H26N4O3S/c1-17-4-7-19(8-5-17)20-9-11-23(25-24-20)26-12-14-27(15-13-26)31(28,29)22-16-18(2)6-10-21(22)30-3/h4-11,16H,12-15H2,1-3H3
InChIKeyYZJRIWDOWMMBDC-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.28
Rot. Bonds5

About 3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine

3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine (PubChem CID 42110751) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine.

Molecular Properties

Compound Name3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine
PubChem CID42110751
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1
InChIInChI=1S/C23H26N4O3S/c1-17-4-7-19(8-5-17)20-9-11-23(25-24-20)26-12-14-27(15-13-26)31(28,29)22-16-18(2)6-10-21(22)30-3/h4-11,16H,12-15H2,1-3H3
InChIKeyYZJRIWDOWMMBDC-UHFFFAOYSA-N
XLogP3.28
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052
3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060911
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine
CID 121060849
3-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyridin-4-ylpyridazine
CID 25283732
4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122341906
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 121061024
2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 108780890
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490660
2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30595924

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine?
The IUPAC name of 3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine (CID 42110751) is 3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine.
What is the SMILES notation for 3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine?
The canonical SMILES for 3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine is COc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1.
What is the InChIKey of 3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine?
The InChIKey is YZJRIWDOWMMBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-17-4-7-19(8-5-17)20-9-11-23(25-24-20)26-12-14-27(15-13-26)31(28,29)22-16-18(2)6-10-21(22)30-3/h4-11,16H,12-15H2,1-3H3.
What are the key properties of 3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine?
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine has a molecular weight of 438.55 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine is sourced from PubChem (CID 42110751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).