1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine

C18H20F2N2O3S — CID 71905539

IUPAC1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C18H20F2N2O3S/c1-25-18-5-3-2-4-17(18)21-8-10-22(11-9-21)26(23,24)13-14-6-7-15(19)12-16(14)20/h2-7,12H,8-11,13H2,1H3
InChIKeyXVWJSJOAXREVFX-UHFFFAOYSA-N
MW382.43 g/mol
LogP2.63
Rot. Bonds5

About 1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine

1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 71905539) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine
PubChem CID71905539
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC Name1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C18H20F2N2O3S/c1-25-18-5-3-2-4-17(18)21-8-10-22(11-9-21)26(23,24)13-14-6-7-15(19)12-16(14)20/h2-7,12H,8-11,13H2,1H3
InChIKeyXVWJSJOAXREVFX-UHFFFAOYSA-N
XLogP2.63
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
CID 669263
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1085530
1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine
CID 32673178
4-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-methoxy-2-methylpyrimidine
CID 122332439
(3R)-1-(2,4-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2107844
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
2-(3-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 26534618
1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
CID 3717888
1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine
CID 167833255
1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine
CID 113079918
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine (CID 71905539) is 1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(S(=O)(=O)Cc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is XVWJSJOAXREVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-25-18-5-3-2-4-17(18)21-8-10-22(11-9-21)26(23,24)13-14-6-7-15(19)12-16(14)20/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine?
1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 382.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 71905539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).