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

C6H13ClF3N3O2S — CID 91623601

IUPACN-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C6H12F3N3O2S.ClH/c7-6(8,9)5-11-15(13,14)12-3-1-10-2-4-12;/h10-11H,1-5H2;1H
InChIKeyYKNJFMIBINWGLY-UHFFFAOYSA-N
MW283.70 g/mol
LogP-0.29
Rot. Bonds3

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

N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide;hydrochloride (PubChem CID 91623601) has the molecular formula C6H13ClF3N3O2S and a molecular weight of 283.70 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide;hydrochloride
PubChem CID91623601
Molecular FormulaC6H13ClF3N3O2S
Molecular Weight283.70 g/mol
Exact Mass283.04
IUPAC NameN-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C6H12F3N3O2S.ClH/c7-6(8,9)5-11-15(13,14)12-3-1-10-2-4-12;/h10-11H,1-5H2;1H
InChIKeyYKNJFMIBINWGLY-UHFFFAOYSA-N
XLogP-0.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Piperazinesulfonamide
CID 11252198
1-Trifluoromethanesulfonylpiperazine hydrochloride
CID 22665842
Piperazine-1-sulfonamide hydrochloride
CID 67467256
Piperazinium trifluoromethanesulfonate
CID 129746813
(1-Piperazinylsulfonyl)(2,2,2-trifluoroethyl)amine
CID 28775807
Piperazine-1-sulfonyl fluoride hydrochloride
CID 138987571
1-Difluoromethanesulfonylpiperazine hydrochloride
CID 154747321
Piperazine-1-sulfonyl chloride
CID 54563350
Piperazinium sulfamate
CID 126613900
1-((Trifluoromethyl)sulfonyl)piperazine
CID 18690833
1-Difluoromethanesulfonylpiperazine
CID 28606469
1-Methanidyl-4-(trifluoromethylsulfonyl)piperazin-1-ium
CID 57868221

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide;hydrochloride?
The IUPAC name of N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide;hydrochloride (CID 91623601) is N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide;hydrochloride is Cl.O=S(=O)(NCC(F)(F)F)N1CCNCC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide;hydrochloride?
The InChIKey is YKNJFMIBINWGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O2S.ClH/c7-6(8,9)5-11-15(13,14)12-3-1-10-2-4-12;/h10-11H,1-5H2;1H.
What are the key properties of N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide;hydrochloride?
N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide;hydrochloride has a molecular weight of 283.70 g/mol, XLogP of -0.29, 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;hydrochloride is sourced from PubChem (CID 91623601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).