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

C19H24FN2O3S+ — CID 8746986

IUPAC1-(4-fluorophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium
SMILESCc1ccc(OCC[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-16-2-6-18(7-3-16)25-15-14-21-10-12-22(13-11-21)26(23,24)19-8-4-17(20)5-9-19/h2-9H,10-15H2,1H3/p+1
InChIKeyNVWRECWMTWHDHV-UHFFFAOYSA-O
MW379.48 g/mol
LogP1.10
Rot. Bonds6

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

1-(4-fluorophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium (PubChem CID 8746986) has the molecular formula C19H24FN2O3S+ and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium
PubChem CID8746986
Molecular FormulaC19H24FN2O3S+
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium
SMILESCc1ccc(OCC[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-16-2-6-18(7-3-16)25-15-14-21-10-12-22(13-11-21)26(23,24)19-8-4-17(20)5-9-19/h2-9H,10-15H2,1H3/p+1
InChIKeyNVWRECWMTWHDHV-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

1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-fluorophenoxy)ethyl]piperazin-4-ium
CID 9435660
1-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
CID 8966240
1-(4-methoxyphenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium
CID 9036549
1-(4-chlorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium
CID 8744066
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
CID 9257787
1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium
CID 7223673
3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 110638702
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(2-phenoxyethyl)piperazin-4-ium
CID 9257795
1-(3,4-dimethylphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 110409854
1-[3-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone
CID 9301071
1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine
CID 27634956
1-(4-propoxyphenyl)sulfonylpyrrolidine
CID 60755176

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium (CID 8746986) is 1-(4-fluorophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium is Cc1ccc(OCC[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium?
The InChIKey is NVWRECWMTWHDHV-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23FN2O3S/c1-16-2-6-18(7-3-16)25-15-14-21-10-12-22(13-11-21)26(23,24)19-8-4-17(20)5-9-19/h2-9H,10-15H2,1H3/p+1.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium?
1-(4-fluorophenyl)sulfonyl-4-[2-(4-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-(4-fluorophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium is sourced from PubChem (CID 8746986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).