1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine

C15H15F2N3O2S — CID 3465215

IUPAC1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H15F2N3O2S/c16-12-4-5-14(13(17)11-12)23(21,22)20-9-7-19(8-10-20)15-3-1-2-6-18-15/h1-6,11H,7-10H2
InChIKeyYAKRBDJDQPAHGK-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.87
Rot. Bonds3

About 1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine

1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine (PubChem CID 3465215) has the molecular formula C15H15F2N3O2S and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
PubChem CID3465215
Molecular FormulaC15H15F2N3O2S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H15F2N3O2S/c16-12-4-5-14(13(17)11-12)23(21,22)20-9-7-19(8-10-20)15-3-1-2-6-18-15/h1-6,11H,7-10H2
InChIKeyYAKRBDJDQPAHGK-UHFFFAOYSA-N
XLogP1.87
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 121053085
1-(2,4-difluorophenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine
CID 8567614
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947962
1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 701155
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56699842
1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 172655844
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
1-(5-bromo-2-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 17460713
1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 134017145
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 56920406
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 50945548
4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine (CID 3465215) is 1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine is O=S(=O)(c1ccc(F)cc1F)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The InChIKey is YAKRBDJDQPAHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2S/c16-12-4-5-14(13(17)11-12)23(21,22)20-9-7-19(8-10-20)15-3-1-2-6-18-15/h1-6,11H,7-10H2.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine?
1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine has a molecular weight of 339.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 3465215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).