3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine

C15H16F2N4O2S — CID 122341348

IUPAC3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)nn1
InChIInChI=1S/C15H16F2N4O2S/c1-11-2-3-15(19-18-11)20-4-6-21(7-5-20)24(22,23)14-9-12(16)8-13(17)10-14/h2-3,8-10H,4-7H2,1H3
InChIKeyQETKYOPCYUOGMM-UHFFFAOYSA-N
MW354.38 g/mol
LogP1.57
Rot. Bonds3

About 3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine

3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine (PubChem CID 122341348) has the molecular formula C15H16F2N4O2S and a molecular weight of 354.38 g/mol. Its IUPAC name is 3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
PubChem CID122341348
Molecular FormulaC15H16F2N4O2S
Molecular Weight354.38 g/mol
Exact Mass354.10
IUPAC Name3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)nn1
InChIInChI=1S/C15H16F2N4O2S/c1-11-2-3-15(19-18-11)20-4-6-21(7-5-20)24(22,23)14-9-12(16)8-13(17)10-14/h2-3,8-10H,4-7H2,1H3
InChIKeyQETKYOPCYUOGMM-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-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947962
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341372
3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341388
3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341352
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947386
5-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 122341360
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334812
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 121061024
3-(4-ethylpiperazin-1-yl)-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121038128
3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334502
3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 50947976
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 7287685

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
The IUPAC name of 3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine (CID 122341348) is 3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine.
What is the SMILES notation for 3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
The canonical SMILES for 3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine is Cc1ccc(N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)nn1.
What is the InChIKey of 3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
The InChIKey is QETKYOPCYUOGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2S/c1-11-2-3-15(19-18-11)20-4-6-21(7-5-20)24(22,23)14-9-12(16)8-13(17)10-14/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
3-[4-(3,5-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-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine is sourced from PubChem (CID 122341348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).