1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine

C18H20F2N2O3S — CID 18082801

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1F
InChIInChI=1S/C18H20F2N2O3S/c1-25-17-7-6-14(12-16(17)20)13-21-8-10-22(11-9-21)26(23,24)18-5-3-2-4-15(18)19/h2-7,12H,8-11,13H2,1H3
InChIKeyQWVYILZBOCDTCE-UHFFFAOYSA-N
MW382.43 g/mol
LogP2.48
Rot. Bonds5

About 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine

1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine (PubChem CID 18082801) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
PubChem CID18082801
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1F
InChIInChI=1S/C18H20F2N2O3S/c1-25-17-7-6-14(12-16(17)20)13-21-8-10-22(11-9-21)26(23,24)18-5-3-2-4-15(18)19/h2-7,12H,8-11,13H2,1H3
InChIKeyQWVYILZBOCDTCE-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(4-methoxy-3,5-dimethylphenyl)sulfonylpiperazine
CID 112823037
4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 51335547
1-benzyl-4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazine
CID 6499746
1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazine
CID 37498338
4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbaldehyde
CID 91359286
1-[2-(benzenesulfonyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
CID 33071081
2-(3,4-dimethoxyphenyl)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 7750532
1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 8749281
1-(2-chlorophenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 38749302
2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4,6-dimethoxyquinoline
CID 171348067
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 2901057
1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine
CID 39730317

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine (CID 18082801) is 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine is COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine?
The InChIKey is QWVYILZBOCDTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-25-17-7-6-14(12-16(17)20)13-21-8-10-22(11-9-21)26(23,24)18-5-3-2-4-15(18)19/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine?
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine has a molecular weight of 382.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 18082801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).