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

C6H12F3N3O2S — CID 28775807

IUPACN-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C6H12F3N3O2S/c7-6(8,9)5-11-15(13,14)12-3-1-10-2-4-12/h10-11H,1-5H2
InChIKeySQFFSJOCBCQCAA-UHFFFAOYSA-N
MW247.24 g/mol
LogP-0.71
Rot. Bonds3

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

N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 28775807) has the molecular formula C6H12F3N3O2S and a molecular weight of 247.24 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID28775807
Molecular FormulaC6H12F3N3O2S
Molecular Weight247.24 g/mol
Exact Mass247.06
IUPAC NameN-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C6H12F3N3O2S/c7-6(8,9)5-11-15(13,14)12-3-1-10-2-4-12/h10-11H,1-5H2
InChIKeySQFFSJOCBCQCAA-UHFFFAOYSA-N
XLogP-0.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 28775807) is N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is O=S(=O)(NCC(F)(F)F)N1CCNCC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is SQFFSJOCBCQCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O2S/c7-6(8,9)5-11-15(13,14)12-3-1-10-2-4-12/h10-11H,1-5H2.
What are the key properties of N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide has a molecular weight of 247.24 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 28775807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).