3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine

C20H26FN5O2S — CID 122334812

IUPAC3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C20H26FN5O2S/c1-16-15-17(21)5-6-18(16)29(27,28)26-13-11-25(12-14-26)20-8-7-19(22-23-20)24-9-3-2-4-10-24/h5-8,15H,2-4,9-14H2,1H3
InChIKeyFWKGZDMGRFOQIM-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.43
Rot. Bonds4

About 3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine

3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine (PubChem CID 122334812) has the molecular formula C20H26FN5O2S and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine.

Molecular Properties

Compound Name3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
PubChem CID122334812
Molecular FormulaC20H26FN5O2S
Molecular Weight419.53 g/mol
Exact Mass419.18
IUPAC Name3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C20H26FN5O2S/c1-16-15-17(21)5-6-18(16)29(27,28)26-13-11-25(12-14-26)20-8-7-19(22-23-20)24-9-3-2-4-10-24/h5-8,15H,2-4,9-14H2,1H3
InChIKeyFWKGZDMGRFOQIM-UHFFFAOYSA-N
XLogP2.43
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341372
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 121053085
1-[6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 26843188
3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 7287711
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine
CID 122281734
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazine
CID 122337141
N-[4-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methylphenyl]acetamide
CID 122335096
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947962
N-[3-methyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 122334515
3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334482
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-ylpyrimidine
CID 20896403

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine?
The IUPAC name of 3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine (CID 122334812) is 3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine.
What is the SMILES notation for 3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine?
The canonical SMILES for 3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine is Cc1cc(F)ccc1S(=O)(=O)N1CCN(c2ccc(N3CCCCC3)nn2)CC1.
What is the InChIKey of 3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine?
The InChIKey is FWKGZDMGRFOQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2S/c1-16-15-17(21)5-6-18(16)29(27,28)26-13-11-25(12-14-26)20-8-7-19(22-23-20)24-9-3-2-4-10-24/h5-8,15H,2-4,9-14H2,1H3.
What are the key properties of 3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine?
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine has a molecular weight of 419.53 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine is sourced from PubChem (CID 122334812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).