2-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

C6H12F3N3O2S — CID 130344791

IUPAC2-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCNCC1CC(F)(F)F
InChIInChI=1S/C6H12F3N3O2S/c7-6(8,9)3-5-4-11-1-2-12(5)15(10,13)14/h5,11H,1-4H2,(H2,10,13,14)
InChIKeyBURVLMXYYSQSFI-UHFFFAOYSA-N
MW247.24 g/mol
LogP-0.58
Rot. Bonds2

About 2-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

2-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 130344791) has the molecular formula C6H12F3N3O2S and a molecular weight of 247.24 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID130344791
Molecular FormulaC6H12F3N3O2S
Molecular Weight247.24 g/mol
Exact Mass247.06
IUPAC Name2-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCNCC1CC(F)(F)F
InChIInChI=1S/C6H12F3N3O2S/c7-6(8,9)3-5-4-11-1-2-12(5)15(10,13)14/h5,11H,1-4H2,(H2,10,13,14)
InChIKeyBURVLMXYYSQSFI-UHFFFAOYSA-N
XLogP-0.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of 2-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 130344791) is 2-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCNCC1CC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is BURVLMXYYSQSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O2S/c7-6(8,9)3-5-4-11-1-2-12(5)15(10,13)14/h5,11H,1-4H2,(H2,10,13,14).
What are the key properties of 2-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
2-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide has a molecular weight of 247.24 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 130344791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).