1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine

C19H23FN2O4S — CID 90518310

IUPAC1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine
SMILESCOc1ccc(OCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H23FN2O4S/c1-25-18-6-8-19(9-7-18)26-14-15-27(23,24)22-12-10-21(11-13-22)17-4-2-16(20)3-5-17/h2-9H,10-15H2,1H3
InChIKeyOPYHHNYEYHRTAP-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.37
Rot. Bonds7

About 1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine

1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine (PubChem CID 90518310) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine
PubChem CID90518310
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine
SMILESCOc1ccc(OCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H23FN2O4S/c1-25-18-6-8-19(9-7-18)26-14-15-27(23,24)22-12-10-21(11-13-22)17-4-2-16(20)3-5-17/h2-9H,10-15H2,1H3
InChIKeyOPYHHNYEYHRTAP-UHFFFAOYSA-N
XLogP2.37
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine 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-fluorophenoxy)propylsulfonyl]-4-(3-methoxyphenyl)piperazine
CID 16884382
1-(3-chloropropylsulfonyl)-4-(4-methoxyphenyl)piperazine
CID 43654044
2-(4-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565428
2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 22578878
1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine
CID 110299928
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 27456819
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide
CID 110306666
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone
CID 78795589
2-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole
CID 110308261
1-(4-fluorophenyl)-4-(4-phenylbut-3-ynylsulfonyl)piperazine
CID 141149155
4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzenesulfonamide
CID 22578930

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine (CID 90518310) is 1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine is COc1ccc(OCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine?
The InChIKey is OPYHHNYEYHRTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-25-18-6-8-19(9-7-18)26-14-15-27(23,24)22-12-10-21(11-13-22)17-4-2-16(20)3-5-17/h2-9H,10-15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine?
1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine has a molecular weight of 394.47 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine is sourced from PubChem (CID 90518310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).