1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine

C18H19F3N2O2S — CID 8771509

IUPAC1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
SMILESC[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H19F3N2O2S/c1-13(14-2-4-15(19)5-3-14)22-8-10-23(11-9-22)26(24,25)18-7-6-16(20)12-17(18)21/h2-7,12-13H,8-11H2,1H3/t13-/m1/s1
InChIKeyGBNXHWXEQLIKAB-CYBMUJFWSA-N
MW384.42 g/mol
LogP3.17
Rot. Bonds4

About 1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine

1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine (PubChem CID 8771509) has the molecular formula C18H19F3N2O2S and a molecular weight of 384.42 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
PubChem CID8771509
Molecular FormulaC18H19F3N2O2S
Molecular Weight384.42 g/mol
Exact Mass384.11
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
SMILESC[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H19F3N2O2S/c1-13(14-2-4-15(19)5-3-14)22-8-10-23(11-9-22)26(24,25)18-7-6-16(20)12-17(18)21/h2-7,12-13H,8-11H2,1H3/t13-/m1/s1
InChIKeyGBNXHWXEQLIKAB-CYBMUJFWSA-N
XLogP3.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,6-difluorophenyl)ethyl]-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 112840410
1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazin-4-ium
CID 8771508
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 60673369
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine
CID 46100949
1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 51169740
1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine
CID 42950771
1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
CID 8686758
(2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8771468
4-cyclopropylidene-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 121187241
1-(2,4-difluorophenyl)sulfonyl-4-(4-ethylphenyl)sulfonylpiperazine
CID 19684620
1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 19684927

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine (CID 8771509) is 1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine is C[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine?
The InChIKey is GBNXHWXEQLIKAB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19F3N2O2S/c1-13(14-2-4-15(19)5-3-14)22-8-10-23(11-9-22)26(24,25)18-7-6-16(20)12-17(18)21/h2-7,12-13H,8-11H2,1H3/t13-/m1/s1.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine?
1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine has a molecular weight of 384.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine is sourced from PubChem (CID 8771509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).