1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine

C18H19F3N2O3S — CID 8771334

IUPAC1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(CCOc2ccccc2F)CC1
InChIInChI=1S/C18H19F3N2O3S/c19-14-5-6-18(16(21)13-14)27(24,25)23-9-7-22(8-10-23)11-12-26-17-4-2-1-3-15(17)20/h1-6,13H,7-12H2
InChIKeyAPWFWGQTWUTKTC-UHFFFAOYSA-N
MW400.42 g/mol
LogP2.49
Rot. Bonds6

About 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine

1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine (PubChem CID 8771334) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
PubChem CID8771334
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(CCOc2ccccc2F)CC1
InChIInChI=1S/C18H19F3N2O3S/c19-14-5-6-18(16(21)13-14)27(24,25)23-9-7-22(8-10-23)11-12-26-17-4-2-1-3-15(17)20/h1-6,13H,7-12H2
InChIKeyAPWFWGQTWUTKTC-UHFFFAOYSA-N
XLogP2.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-2-methylphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazine
CID 110410093
1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine
CID 110638324
1-(4-ethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 110410208
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine
CID 8771570
1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 9391115
1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one
CID 39357245
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 8771312
1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium
CID 7223673
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole
CID 17422149
1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110638323

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine (CID 8771334) is 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine is O=S(=O)(c1ccc(F)cc1F)N1CCN(CCOc2ccccc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine?
The InChIKey is APWFWGQTWUTKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c19-14-5-6-18(16(21)13-14)27(24,25)23-9-7-22(8-10-23)11-12-26-17-4-2-1-3-15(17)20/h1-6,13H,7-12H2.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine?
1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine has a molecular weight of 400.42 g/mol, XLogP of 2.49, 6 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-[2-(2-fluorophenoxy)ethyl]piperazine is sourced from PubChem (CID 8771334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).