3-[(4-chlorophenyl)methylsulfonyl]-6-(4-phenylpiperazin-1-yl)pyridazine

C21H21ClN4O2S — CID 27373691

IUPAC3-[(4-chlorophenyl)methylsulfonyl]-6-(4-phenylpiperazin-1-yl)pyridazine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)c1ccc(N2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C21H21ClN4O2S/c22-18-8-6-17(7-9-18)16-29(27,28)21-11-10-20(23-24-21)26-14-12-25(13-15-26)19-4-2-1-3-5-19/h1-11H,12-16H2
InChIKeyZDXMQEIWNSVUSU-UHFFFAOYSA-N
MW428.95 g/mol
LogP3.43
Rot. Bonds5

About 3-[(4-chlorophenyl)methylsulfonyl]-6-(4-phenylpiperazin-1-yl)pyridazine

3-[(4-chlorophenyl)methylsulfonyl]-6-(4-phenylpiperazin-1-yl)pyridazine (PubChem CID 27373691) has the molecular formula C21H21ClN4O2S and a molecular weight of 428.95 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfonyl]-6-(4-phenylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfonyl]-6-(4-phenylpiperazin-1-yl)pyridazine
PubChem CID27373691
Molecular FormulaC21H21ClN4O2S
Molecular Weight428.95 g/mol
Exact Mass428.11
IUPAC Name3-[(4-chlorophenyl)methylsulfonyl]-6-(4-phenylpiperazin-1-yl)pyridazine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)c1ccc(N2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C21H21ClN4O2S/c22-18-8-6-17(7-9-18)16-29(27,28)21-11-10-20(23-24-21)26-14-12-25(13-15-26)19-4-2-1-3-5-19/h1-11H,12-16H2
InChIKeyZDXMQEIWNSVUSU-UHFFFAOYSA-N
XLogP3.43
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.95
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-yl]azepane
CID 122335077
N-[(4-chlorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]sulfanylacetamide
CID 53108909
3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
CID 53073252
[5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 152814620
3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine
CID 53033983
2-[(4-chlorophenyl)methylsulfonyl]benzoic acid
CID 20983894
3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113043115
3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine
CID 53073249
[1-[(4-chlorophenyl)methylsulfonyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 50810986
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 43958461
6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
CID 109123102
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123134

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]-6-(4-phenylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]-6-(4-phenylpiperazin-1-yl)pyridazine (CID 27373691) is 3-[(4-chlorophenyl)methylsulfonyl]-6-(4-phenylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfonyl]-6-(4-phenylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfonyl]-6-(4-phenylpiperazin-1-yl)pyridazine is O=S(=O)(Cc1ccc(Cl)cc1)c1ccc(N2CCN(c3ccccc3)CC2)nn1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfonyl]-6-(4-phenylpiperazin-1-yl)pyridazine?
The InChIKey is ZDXMQEIWNSVUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2S/c22-18-8-6-17(7-9-18)16-29(27,28)21-11-10-20(23-24-21)26-14-12-25(13-15-26)19-4-2-1-3-5-19/h1-11H,12-16H2.
What are the key properties of 3-[(4-chlorophenyl)methylsulfonyl]-6-(4-phenylpiperazin-1-yl)pyridazine?
3-[(4-chlorophenyl)methylsulfonyl]-6-(4-phenylpiperazin-1-yl)pyridazine has a molecular weight of 428.95 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfonyl]-6-(4-phenylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 27373691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).