2-(3-ethenyl-2H-imidazol-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C9H14F3N3O2S — CID 162275912

IUPAC2-(3-ethenyl-2H-imidazol-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESC=CN1C=CN(CCS(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H14F3N3O2S/c1-2-14-3-4-15(8-14)5-6-18(16,17)13-7-9(10,11)12/h2-4,13H,1,5-8H2
InChIKeyRIMPTKOKFSDXSQ-UHFFFAOYSA-N
MW285.29 g/mol
LogP0.66
Rot. Bonds6

About 2-(3-ethenyl-2H-imidazol-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

2-(3-ethenyl-2H-imidazol-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 162275912) has the molecular formula C9H14F3N3O2S and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-(3-ethenyl-2H-imidazol-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(3-ethenyl-2H-imidazol-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID162275912
Molecular FormulaC9H14F3N3O2S
Molecular Weight285.29 g/mol
Exact Mass285.08
IUPAC Name2-(3-ethenyl-2H-imidazol-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESC=CN1C=CN(CCS(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H14F3N3O2S/c1-2-14-3-4-15(8-14)5-6-18(16,17)13-7-9(10,11)12/h2-4,13H,1,5-8H2
InChIKeyRIMPTKOKFSDXSQ-UHFFFAOYSA-N
XLogP0.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-2H-imidazol-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of 2-(3-ethenyl-2H-imidazol-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 162275912) is 2-(3-ethenyl-2H-imidazol-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for 2-(3-ethenyl-2H-imidazol-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for 2-(3-ethenyl-2H-imidazol-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is C=CN1C=CN(CCS(=O)(=O)NCC(F)(F)F)C1.
What is the InChIKey of 2-(3-ethenyl-2H-imidazol-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is RIMPTKOKFSDXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2S/c1-2-14-3-4-15(8-14)5-6-18(16,17)13-7-9(10,11)12/h2-4,13H,1,5-8H2.
What are the key properties of 2-(3-ethenyl-2H-imidazol-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
2-(3-ethenyl-2H-imidazol-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 285.29 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-2H-imidazol-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 162275912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).