1-(2-fluorophenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium

C19H24FN2O3S+ — CID 8749090

IUPAC1-(2-fluorophenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium
SMILESCc1ccccc1OCC[NH+]1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H23FN2O3S/c1-16-6-2-4-8-18(16)25-15-14-21-10-12-22(13-11-21)26(23,24)19-9-5-3-7-17(19)20/h2-9H,10-15H2,1H3/p+1
InChIKeyDGJHDQCCSSQZBI-UHFFFAOYSA-O
MW379.48 g/mol
LogP1.10
Rot. Bonds6

About 1-(2-fluorophenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium

1-(2-fluorophenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium (PubChem CID 8749090) has the molecular formula C19H24FN2O3S+ and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium
PubChem CID8749090
Molecular FormulaC19H24FN2O3S+
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC Name1-(2-fluorophenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium
SMILESCc1ccccc1OCC[NH+]1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H23FN2O3S/c1-16-6-2-4-8-18(16)25-15-14-21-10-12-22(13-11-21)26(23,24)19-9-5-3-7-17(19)20/h2-9H,10-15H2,1H3/p+1
InChIKeyDGJHDQCCSSQZBI-UHFFFAOYSA-O
XLogP1.10
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile
CID 9286647
1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 71904240
1-(4-chlorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium
CID 8744066
1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium
CID 7223673
1-[2-(4-fluorophenyl)sulfanylethyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium
CID 8553947
1-[2-(2-methylphenoxy)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium
CID 8748482
2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethylphenol
CID 2442648
1-[2-(2-methylphenoxy)ethyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 8746545
1-(4-fluoro-2-methylphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazine
CID 110410093
1-(2-fluorophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium
CID 8749202
1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 5012297
1-(4-fluorophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium
CID 8746986

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium (CID 8749090) is 1-(2-fluorophenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium is Cc1ccccc1OCC[NH+]1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium?
The InChIKey is DGJHDQCCSSQZBI-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23FN2O3S/c1-16-6-2-4-8-18(16)25-15-14-21-10-12-22(13-11-21)26(23,24)19-9-5-3-7-17(19)20/h2-9H,10-15H2,1H3/p+1.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium?
1-(2-fluorophenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium has a molecular weight of 379.48 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium is sourced from PubChem (CID 8749090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).