2-[1-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]triazol-4-yl]ethanesulfonamide

C11H17F3N4O2S — CID 167752501

IUPAC2-[1-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]triazol-4-yl]ethanesulfonamide
SMILESNS(=O)(=O)CCc1cn(CCC2(C(F)(F)F)CCC2)nn1
InChIInChI=1S/C11H17F3N4O2S/c12-11(13,14)10(3-1-4-10)5-6-18-8-9(16-17-18)2-7-21(15,19)20/h8H,1-7H2,(H2,15,19,20)
InChIKeyLHKKSVUSJGVXCP-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.23
Rot. Bonds6

About 2-[1-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]triazol-4-yl]ethanesulfonamide

2-[1-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]triazol-4-yl]ethanesulfonamide (PubChem CID 167752501) has the molecular formula C11H17F3N4O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is 2-[1-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]triazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[1-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]triazol-4-yl]ethanesulfonamide
PubChem CID167752501
Molecular FormulaC11H17F3N4O2S
Molecular Weight326.34 g/mol
Exact Mass326.10
IUPAC Name2-[1-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]triazol-4-yl]ethanesulfonamide
SMILESNS(=O)(=O)CCc1cn(CCC2(C(F)(F)F)CCC2)nn1
InChIInChI=1S/C11H17F3N4O2S/c12-11(13,14)10(3-1-4-10)5-6-18-8-9(16-17-18)2-7-21(15,19)20/h8H,1-7H2,(H2,15,19,20)
InChIKeyLHKKSVUSJGVXCP-UHFFFAOYSA-N
XLogP1.23
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]triazol-4-yl]ethanesulfonamide?
The IUPAC name of 2-[1-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]triazol-4-yl]ethanesulfonamide (CID 167752501) is 2-[1-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]triazol-4-yl]ethanesulfonamide.
What is the SMILES notation for 2-[1-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]triazol-4-yl]ethanesulfonamide?
The canonical SMILES for 2-[1-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]triazol-4-yl]ethanesulfonamide is NS(=O)(=O)CCc1cn(CCC2(C(F)(F)F)CCC2)nn1.
What is the InChIKey of 2-[1-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]triazol-4-yl]ethanesulfonamide?
The InChIKey is LHKKSVUSJGVXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2S/c12-11(13,14)10(3-1-4-10)5-6-18-8-9(16-17-18)2-7-21(15,19)20/h8H,1-7H2,(H2,15,19,20).
What are the key properties of 2-[1-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]triazol-4-yl]ethanesulfonamide?
2-[1-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]triazol-4-yl]ethanesulfonamide has a molecular weight of 326.34 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]triazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 167752501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).