3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine

C24H27ClN4O6S — CID 121060849

IUPAC3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(-c3cc(OC)c(OC)c(OC)c3)nn2)CC1
InChIInChI=1S/C24H27ClN4O6S/c1-32-19-7-5-17(25)15-22(19)36(30,31)29-11-9-28(10-12-29)23-8-6-18(26-27-23)16-13-20(33-2)24(35-4)21(14-16)34-3/h5-8,13-15H,9-12H2,1-4H3
InChIKeyNYAYGKOTKZISDC-UHFFFAOYSA-N
MW535.02 g/mol
LogP3.34
Rot. Bonds8

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

3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine (PubChem CID 121060849) has the molecular formula C24H27ClN4O6S and a molecular weight of 535.02 g/mol. Its IUPAC name is 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine.

Molecular Properties

Compound Name3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine
PubChem CID121060849
Molecular FormulaC24H27ClN4O6S
Molecular Weight535.02 g/mol
Exact Mass534.13
IUPAC Name3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(-c3cc(OC)c(OC)c(OC)c3)nn2)CC1
InChIInChI=1S/C24H27ClN4O6S/c1-32-19-7-5-17(25)15-22(19)36(30,31)29-11-9-28(10-12-29)23-8-6-18(26-27-23)16-13-20(33-2)24(35-4)21(14-16)34-3/h5-8,13-15H,9-12H2,1-4H3
InChIKeyNYAYGKOTKZISDC-UHFFFAOYSA-N
XLogP3.34
TPSA103.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.02
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 121061024
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490660
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine
CID 42110751
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-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine
CID 121060832
3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060911
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052
4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122342145
5-chloro-2-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30295138
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081668

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine?
The IUPAC name of 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine (CID 121060849) is 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine.
What is the SMILES notation for 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine?
The canonical SMILES for 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine is COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(-c3cc(OC)c(OC)c(OC)c3)nn2)CC1.
What is the InChIKey of 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine?
The InChIKey is NYAYGKOTKZISDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O6S/c1-32-19-7-5-17(25)15-22(19)36(30,31)29-11-9-28(10-12-29)23-8-6-18(26-27-23)16-13-20(33-2)24(35-4)21(14-16)34-3/h5-8,13-15H,9-12H2,1-4H3.
What are the key properties of 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine?
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine has a molecular weight of 535.02 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine is sourced from PubChem (CID 121060849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).