1,4-bis[(2,6-difluorophenyl)sulfonyl]piperazine

C16H14F4N2O4S2 — CID 25243724

IUPAC1,4-bis[(2,6-difluorophenyl)sulfonyl]piperazine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C16H14F4N2O4S2/c17-11-3-1-4-12(18)15(11)27(23,24)21-7-9-22(10-8-21)28(25,26)16-13(19)5-2-6-14(16)20/h1-6H,7-10H2
InChIKeyONYXCFNTSYNTBC-UHFFFAOYSA-N
MW438.42 g/mol
LogP1.94
Rot. Bonds4

About 1,4-bis[(2,6-difluorophenyl)sulfonyl]piperazine

1,4-bis[(2,6-difluorophenyl)sulfonyl]piperazine (PubChem CID 25243724) has the molecular formula C16H14F4N2O4S2 and a molecular weight of 438.42 g/mol. Its IUPAC name is 1,4-bis[(2,6-difluorophenyl)sulfonyl]piperazine.

Molecular Properties

Compound Name1,4-bis[(2,6-difluorophenyl)sulfonyl]piperazine
PubChem CID25243724
Molecular FormulaC16H14F4N2O4S2
Molecular Weight438.42 g/mol
Exact Mass438.03
IUPAC Name1,4-bis[(2,6-difluorophenyl)sulfonyl]piperazine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C16H14F4N2O4S2/c17-11-3-1-4-12(18)15(11)27(23,24)21-7-9-22(10-8-21)28(25,26)16-13(19)5-2-6-14(16)20/h1-6H,7-10H2
InChIKeyONYXCFNTSYNTBC-UHFFFAOYSA-N
XLogP1.94
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.42
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(2,6-difluorophenyl)sulfonyl]piperazine?
The IUPAC name of 1,4-bis[(2,6-difluorophenyl)sulfonyl]piperazine (CID 25243724) is 1,4-bis[(2,6-difluorophenyl)sulfonyl]piperazine.
What is the SMILES notation for 1,4-bis[(2,6-difluorophenyl)sulfonyl]piperazine?
The canonical SMILES for 1,4-bis[(2,6-difluorophenyl)sulfonyl]piperazine is O=S(=O)(c1c(F)cccc1F)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of 1,4-bis[(2,6-difluorophenyl)sulfonyl]piperazine?
The InChIKey is ONYXCFNTSYNTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O4S2/c17-11-3-1-4-12(18)15(11)27(23,24)21-7-9-22(10-8-21)28(25,26)16-13(19)5-2-6-14(16)20/h1-6H,7-10H2.
What are the key properties of 1,4-bis[(2,6-difluorophenyl)sulfonyl]piperazine?
1,4-bis[(2,6-difluorophenyl)sulfonyl]piperazine has a molecular weight of 438.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(2,6-difluorophenyl)sulfonyl]piperazine is sourced from PubChem (CID 25243724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).