4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperazine-1-sulfonamide

C8H11F6N3O3S — CID 103310840

IUPAC4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)C(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C8H11F6N3O3S/c9-7(10,11)5(8(12,13)14)6(18)16-1-3-17(4-2-16)21(15,19)20/h5H,1-4H2,(H2,15,19,20)
InChIKeyZRRKBXKRBDEHKD-UHFFFAOYSA-N
MW343.25 g/mol
LogP0.07
Rot. Bonds2

About 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperazine-1-sulfonamide

4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperazine-1-sulfonamide (PubChem CID 103310840) has the molecular formula C8H11F6N3O3S and a molecular weight of 343.25 g/mol. Its IUPAC name is 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperazine-1-sulfonamide
PubChem CID103310840
Molecular FormulaC8H11F6N3O3S
Molecular Weight343.25 g/mol
Exact Mass343.04
IUPAC Name4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)C(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C8H11F6N3O3S/c9-7(10,11)5(8(12,13)14)6(18)16-1-3-17(4-2-16)21(15,19)20/h5H,1-4H2,(H2,15,19,20)
InChIKeyZRRKBXKRBDEHKD-UHFFFAOYSA-N
XLogP0.07
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperazine-1-sulfonamide (CID 103310840) is 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)C(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperazine-1-sulfonamide?
The InChIKey is ZRRKBXKRBDEHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6N3O3S/c9-7(10,11)5(8(12,13)14)6(18)16-1-3-17(4-2-16)21(15,19)20/h5H,1-4H2,(H2,15,19,20).
What are the key properties of 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperazine-1-sulfonamide?
4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperazine-1-sulfonamide has a molecular weight of 343.25 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperazine-1-sulfonamide is sourced from PubChem (CID 103310840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).