1-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium

C19H24FN2O4S+ — CID 8966240

IUPAC1-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
SMILESCOc1ccc(OCC[NH+]2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C19H23FN2O4S/c1-25-17-5-7-18(8-6-17)26-14-13-21-9-11-22(12-10-21)27(23,24)19-4-2-3-16(20)15-19/h2-8,15H,9-14H2,1H3/p+1
InChIKeyIIUCPSYAAIKLDS-UHFFFAOYSA-O
MW395.48 g/mol
LogP0.80
Rot. Bonds7

About 1-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium

1-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium (PubChem CID 8966240) has the molecular formula C19H24FN2O4S+ and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
PubChem CID8966240
Molecular FormulaC19H24FN2O4S+
Molecular Weight395.48 g/mol
Exact Mass395.14
IUPAC Name1-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
SMILESCOc1ccc(OCC[NH+]2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C19H23FN2O4S/c1-25-17-5-7-18(8-6-17)26-14-13-21-9-11-22(12-10-21)27(23,24)19-4-2-3-16(20)15-19/h2-8,15H,9-14H2,1H3/p+1
InChIKeyIIUCPSYAAIKLDS-UHFFFAOYSA-O
XLogP0.80
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone
CID 9301071
1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-fluorophenoxy)ethyl]piperazin-4-ium
CID 9435660
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one
CID 24687869
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
CID 9257787
1-(4-methoxyphenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium
CID 9036549
1-(4-fluorophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium
CID 8746986
1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine
CID 46086751
1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium
CID 7223673
1-(2-chlorophenyl)sulfonyl-4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium
CID 8693896
1-(3-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147259
4-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 8681189
1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyrrolidine-2,5-dione
CID 2663722

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium (CID 8966240) is 1-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium is COc1ccc(OCC[NH+]2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium?
The InChIKey is IIUCPSYAAIKLDS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23FN2O4S/c1-25-17-5-7-18(8-6-17)26-14-13-21-9-11-22(12-10-21)27(23,24)19-4-2-3-16(20)15-19/h2-8,15H,9-14H2,1H3/p+1.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium?
1-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium has a molecular weight of 395.48 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium is sourced from PubChem (CID 8966240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).