4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-sulfonamide

C8H15F3N4O3S — CID 78958384

IUPAC4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N4O3S/c9-8(10,11)6-13-5-7(16)14-1-3-15(4-2-14)19(12,17)18/h13H,1-6H2,(H2,12,17,18)
InChIKeyFBRFEWFPGMWJKT-UHFFFAOYSA-N
MW304.29 g/mol
LogP-1.51
Rot. Bonds4

About 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-sulfonamide

4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-sulfonamide (PubChem CID 78958384) has the molecular formula C8H15F3N4O3S and a molecular weight of 304.29 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-sulfonamide
PubChem CID78958384
Molecular FormulaC8H15F3N4O3S
Molecular Weight304.29 g/mol
Exact Mass304.08
IUPAC Name4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N4O3S/c9-8(10,11)6-13-5-7(16)14-1-3-15(4-2-14)19(12,17)18/h13H,1-6H2,(H2,12,17,18)
InChIKeyFBRFEWFPGMWJKT-UHFFFAOYSA-N
XLogP-1.51
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-sulfonamide (CID 78958384) is 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-sulfonamide?
The InChIKey is FBRFEWFPGMWJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N4O3S/c9-8(10,11)6-13-5-7(16)14-1-3-15(4-2-14)19(12,17)18/h13H,1-6H2,(H2,12,17,18).
What are the key properties of 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-sulfonamide?
4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-sulfonamide has a molecular weight of 304.29 g/mol, XLogP of -1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-sulfonamide is sourced from PubChem (CID 78958384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).