2,2,3-tris(fluoromethyl)piperazine-1-sulfonamide

C7H14F3N3O2S — CID 175866221

IUPAC2,2,3-tris(fluoromethyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCNC(CF)C1(CF)CF
InChIInChI=1S/C7H14F3N3O2S/c8-3-6-7(4-9,5-10)13(2-1-12-6)16(11,14)15/h6,12H,1-5H2,(H2,11,14,15)
InChIKeyOUDFRMKJUCTWMF-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.89
Rot. Bonds4

About 2,2,3-tris(fluoromethyl)piperazine-1-sulfonamide

2,2,3-tris(fluoromethyl)piperazine-1-sulfonamide (PubChem CID 175866221) has the molecular formula C7H14F3N3O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is 2,2,3-tris(fluoromethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name2,2,3-tris(fluoromethyl)piperazine-1-sulfonamide
PubChem CID175866221
Molecular FormulaC7H14F3N3O2S
Molecular Weight261.27 g/mol
Exact Mass261.08
IUPAC Name2,2,3-tris(fluoromethyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCNC(CF)C1(CF)CF
InChIInChI=1S/C7H14F3N3O2S/c8-3-6-7(4-9,5-10)13(2-1-12-6)16(11,14)15/h6,12H,1-5H2,(H2,11,14,15)
InChIKeyOUDFRMKJUCTWMF-UHFFFAOYSA-N
XLogP-0.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-tris(fluoromethyl)piperazine-1-sulfonamide?
The IUPAC name of 2,2,3-tris(fluoromethyl)piperazine-1-sulfonamide (CID 175866221) is 2,2,3-tris(fluoromethyl)piperazine-1-sulfonamide.
What is the SMILES notation for 2,2,3-tris(fluoromethyl)piperazine-1-sulfonamide?
The canonical SMILES for 2,2,3-tris(fluoromethyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCNC(CF)C1(CF)CF.
What is the InChIKey of 2,2,3-tris(fluoromethyl)piperazine-1-sulfonamide?
The InChIKey is OUDFRMKJUCTWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2S/c8-3-6-7(4-9,5-10)13(2-1-12-6)16(11,14)15/h6,12H,1-5H2,(H2,11,14,15).
What are the key properties of 2,2,3-tris(fluoromethyl)piperazine-1-sulfonamide?
2,2,3-tris(fluoromethyl)piperazine-1-sulfonamide has a molecular weight of 261.27 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-tris(fluoromethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 175866221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).