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

C15H16F2N4O2S — CID 50947962

IUPAC3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nn1
InChIInChI=1S/C15H16F2N4O2S/c1-11-2-5-15(19-18-11)20-6-8-21(9-7-20)24(22,23)14-4-3-12(16)10-13(14)17/h2-5,10H,6-9H2,1H3
InChIKeyZVVNDIKWWDMOCF-UHFFFAOYSA-N
MW354.38 g/mol
LogP1.57
Rot. Bonds3

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

3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine (PubChem CID 50947962) has the molecular formula C15H16F2N4O2S and a molecular weight of 354.38 g/mol. Its IUPAC name is 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
PubChem CID50947962
Molecular FormulaC15H16F2N4O2S
Molecular Weight354.38 g/mol
Exact Mass354.10
IUPAC Name3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nn1
InChIInChI=1S/C15H16F2N4O2S/c1-11-2-5-15(19-18-11)20-6-8-21(9-7-20)24(22,23)14-4-3-12(16)10-13(14)17/h2-5,10H,6-9H2,1H3
InChIKeyZVVNDIKWWDMOCF-UHFFFAOYSA-N
XLogP1.57
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341348
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334812
6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 42111553
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56699842
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-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947386
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 56920406
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 121065068

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
The IUPAC name of 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine (CID 50947962) is 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine.
What is the SMILES notation for 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
The canonical SMILES for 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine is Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nn1.
What is the InChIKey of 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
The InChIKey is ZVVNDIKWWDMOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2S/c1-11-2-5-15(19-18-11)20-6-8-21(9-7-20)24(22,23)14-4-3-12(16)10-13(14)17/h2-5,10H,6-9H2,1H3.
What are the key properties of 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine has a molecular weight of 354.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine is sourced from PubChem (CID 50947962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).