3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine

C19H23F2N5O2S — CID 121053085

IUPAC3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C19H23F2N5O2S/c20-15-4-5-17(16(21)14-15)29(27,28)26-12-10-25(11-13-26)19-7-6-18(22-23-19)24-8-2-1-3-9-24/h4-7,14H,1-3,8-13H2
InChIKeyZDPWUDGQAOYWAB-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.26
Rot. Bonds4

About 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine

3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine (PubChem CID 121053085) has the molecular formula C19H23F2N5O2S and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine.

Molecular Properties

Compound Name3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
PubChem CID121053085
Molecular FormulaC19H23F2N5O2S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Name3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C19H23F2N5O2S/c20-15-4-5-17(16(21)14-15)29(27,28)26-12-10-25(11-13-26)19-7-6-18(22-23-19)24-8-2-1-3-9-24/h4-7,14H,1-3,8-13H2
InChIKeyZDPWUDGQAOYWAB-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine 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-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947962
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334812
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 50945548
1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3465215
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341372
6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 42111553
6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 121065068
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
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56699842
3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine
CID 121053202
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine?
The IUPAC name of 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine (CID 121053085) is 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine.
What is the SMILES notation for 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine?
The canonical SMILES for 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine is O=S(=O)(c1ccc(F)cc1F)N1CCN(c2ccc(N3CCCCC3)nn2)CC1.
What is the InChIKey of 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine?
The InChIKey is ZDPWUDGQAOYWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O2S/c20-15-4-5-17(16(21)14-15)29(27,28)26-12-10-25(11-13-26)19-7-6-18(22-23-19)24-8-2-1-3-9-24/h4-7,14H,1-3,8-13H2.
What are the key properties of 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine?
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine has a molecular weight of 423.49 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine is sourced from PubChem (CID 121053085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).