1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine

C26H28F2N2O4S — CID 46102619

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine
SMILESCOc1cccc(S(=O)(=O)N2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C26H28F2N2O4S/c1-33-24-3-2-4-25(19-24)35(31,32)30-15-13-29(14-16-30)17-18-34-26(20-5-9-22(27)10-6-20)21-7-11-23(28)12-8-21/h2-12,19,26H,13-18H2,1H3
InChIKeyFGUQUXGHNVOOPD-UHFFFAOYSA-N
MW502.58 g/mol
LogP4.09
Rot. Bonds9

About 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine (PubChem CID 46102619) has the molecular formula C26H28F2N2O4S and a molecular weight of 502.58 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine
PubChem CID46102619
Molecular FormulaC26H28F2N2O4S
Molecular Weight502.58 g/mol
Exact Mass502.17
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine
SMILESCOc1cccc(S(=O)(=O)N2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C26H28F2N2O4S/c1-33-24-3-2-4-25(19-24)35(31,32)30-15-13-29(14-16-30)17-18-34-26(20-5-9-22(27)10-6-20)21-7-11-23(28)12-8-21/h2-12,19,26H,13-18H2,1H3
InChIKeyFGUQUXGHNVOOPD-UHFFFAOYSA-N
XLogP4.09
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.58
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine
CID 91824001
1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 71954698
1-[2-[(R)-(3,4-difluorophenyl)-phenylmethoxy]ethyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 92772362
1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine
CID 46102646
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine
CID 4742801
1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 91823993
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
1-[2-(3-chlorophenoxy)ethyl]-4-(3-fluorophenyl)sulfonylpiperazine
CID 18082849
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024524
1-(2-benzhydryloxyethyl)-4-(4-propylphenyl)sulfonylpiperazine
CID 46102630
2-ethyl-1-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110818097

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine (CID 46102619) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine is COc1cccc(S(=O)(=O)N2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine?
The InChIKey is FGUQUXGHNVOOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2O4S/c1-33-24-3-2-4-25(19-24)35(31,32)30-15-13-29(14-16-30)17-18-34-26(20-5-9-22(27)10-6-20)21-7-11-23(28)12-8-21/h2-12,19,26H,13-18H2,1H3.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine has a molecular weight of 502.58 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 46102619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).