3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine

C19H20Cl2N6O2S — CID 122346010

IUPAC3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
SMILESCc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4cc(C)c(Cl)cc4Cl)CC3)nn2)n1
InChIInChI=1S/C19H20Cl2N6O2S/c1-13-11-17(16(21)12-15(13)20)30(28,29)26-9-7-25(8-10-26)18-3-4-19(23-22-18)27-6-5-14(2)24-27/h3-6,11-12H,7-10H2,1-2H3
InChIKeyJQKIHWCFENDPIF-UHFFFAOYSA-N
MW467.38 g/mol
LogP3.10
Rot. Bonds4

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

3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine (PubChem CID 122346010) has the molecular formula C19H20Cl2N6O2S and a molecular weight of 467.38 g/mol. Its IUPAC name is 3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
PubChem CID122346010
Molecular FormulaC19H20Cl2N6O2S
Molecular Weight467.38 g/mol
Exact Mass466.07
IUPAC Name3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
SMILESCc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4cc(C)c(Cl)cc4Cl)CC3)nn2)n1
InChIInChI=1S/C19H20Cl2N6O2S/c1-13-11-17(16(21)12-15(13)20)30(28,29)26-9-7-25(8-10-26)18-3-4-19(23-22-18)27-6-5-14(2)24-27/h3-6,11-12H,7-10H2,1-2H3
InChIKeyJQKIHWCFENDPIF-UHFFFAOYSA-N
XLogP3.10
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,2,4-triazol-1-yl)pyridazine
CID 121145895
3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 122346060
3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 56921399
2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333161
3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 7287711
1-[6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 26843188
3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334482
3-(3-methylpyrazol-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyridazine
CID 122346034
N-[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122346057
3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341388
2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide
CID 122346049
(2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121034120

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine (CID 122346010) is 3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine is Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4cc(C)c(Cl)cc4Cl)CC3)nn2)n1.
What is the InChIKey of 3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
The InChIKey is JQKIHWCFENDPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N6O2S/c1-13-11-17(16(21)12-15(13)20)30(28,29)26-9-7-25(8-10-26)18-3-4-19(23-22-18)27-6-5-14(2)24-27/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine has a molecular weight of 467.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 122346010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).