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

C20H25FN2O3S — CID 110410208

IUPAC1-(4-ethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(CCOc3ccccc3F)CC2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-2-17-7-9-18(10-8-17)27(24,25)23-13-11-22(12-14-23)15-16-26-20-6-4-3-5-19(20)21/h3-10H,2,11-16H2,1H3
InChIKeyCJEYEPOFIHZKAH-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.77
Rot. Bonds7

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

1-(4-ethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine (PubChem CID 110410208) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
PubChem CID110410208
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name1-(4-ethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(CCOc3ccccc3F)CC2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-2-17-7-9-18(10-8-17)27(24,25)23-13-11-22(12-14-23)15-16-26-20-6-4-3-5-19(20)21/h3-10H,2,11-16H2,1H3
InChIKeyCJEYEPOFIHZKAH-UHFFFAOYSA-N
XLogP2.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine
CID 110638324
1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 8771334
1-(3,4-dimethylphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazine
CID 110638277
ethyl 4-[4-[2-(2-cyanophenoxy)ethyl]piperazin-1-yl]sulfonylbenzoate
CID 55989089
1-(4-fluoro-2-methylphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazine
CID 110410093
1-(2,4-difluorophenyl)sulfonyl-4-(4-ethylphenyl)sulfonylpiperazine
CID 19684620
1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 123651521
2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638301
1-(4-chlorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium
CID 8744066
1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine
CID 110638281
4-[4-[2-(2-cyanophenoxy)ethyl]piperazin-1-yl]sulfonylbenzenesulfonamide
CID 55987931
1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-one
CID 67299076

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine?
The IUPAC name of 1-(4-ethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine (CID 110410208) is 1-(4-ethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine.
What is the SMILES notation for 1-(4-ethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine?
The canonical SMILES for 1-(4-ethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine is CCc1ccc(S(=O)(=O)N2CCN(CCOc3ccccc3F)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine?
The InChIKey is CJEYEPOFIHZKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-2-17-7-9-18(10-8-17)27(24,25)23-13-11-22(12-14-23)15-16-26-20-6-4-3-5-19(20)21/h3-10H,2,11-16H2,1H3.
What are the key properties of 1-(4-ethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine?
1-(4-ethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine has a molecular weight of 392.50 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine is sourced from PubChem (CID 110410208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).