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

C16H19FN4O2S — CID 122341372

IUPAC3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)nn1
InChIInChI=1S/C16H19FN4O2S/c1-12-11-14(17)4-5-15(12)24(22,23)21-9-7-20(8-10-21)16-6-3-13(2)18-19-16/h3-6,11H,7-10H2,1-2H3
InChIKeyJILFKQIVXQPNRW-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.74
Rot. Bonds3

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

3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine (PubChem CID 122341372) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
PubChem CID122341372
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC Name3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)nn1
InChIInChI=1S/C16H19FN4O2S/c1-12-11-14(17)4-5-15(12)24(22,23)21-9-7-20(8-10-21)16-6-3-13(2)18-19-16/h3-6,11H,7-10H2,1-2H3
InChIKeyJILFKQIVXQPNRW-UHFFFAOYSA-N
XLogP1.74
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341348
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine
CID 122281734
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazine
CID 122337141
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 121053085
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947386
4-[4-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 122340159
3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341388
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
The IUPAC name of 3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine (CID 122341372) is 3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine.
What is the SMILES notation for 3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
The canonical SMILES for 3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine is Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)nn1.
What is the InChIKey of 3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
The InChIKey is JILFKQIVXQPNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-12-11-14(17)4-5-15(12)24(22,23)21-9-7-20(8-10-21)16-6-3-13(2)18-19-16/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine has a molecular weight of 350.42 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine is sourced from PubChem (CID 122341372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).