N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,4,6-trifluorobenzenesulfonamide

C12H12F3N3O2S — CID 167771163

IUPACN-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,4,6-trifluorobenzenesulfonamide
SMILESCCc1ncc(CNS(=O)(=O)c2c(F)cc(F)cc2F)[nH]1
InChIInChI=1S/C12H12F3N3O2S/c1-2-11-16-5-8(18-11)6-17-21(19,20)12-9(14)3-7(13)4-10(12)15/h3-5,17H,2,6H2,1H3,(H,16,18)
InChIKeyLPIMHMQOMLRHCZ-UHFFFAOYSA-N
MW319.31 g/mol
LogP1.87
Rot. Bonds5

About N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,4,6-trifluorobenzenesulfonamide

N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,4,6-trifluorobenzenesulfonamide (PubChem CID 167771163) has the molecular formula C12H12F3N3O2S and a molecular weight of 319.31 g/mol. Its IUPAC name is N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,4,6-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,4,6-trifluorobenzenesulfonamide
PubChem CID167771163
Molecular FormulaC12H12F3N3O2S
Molecular Weight319.31 g/mol
Exact Mass319.06
IUPAC NameN-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,4,6-trifluorobenzenesulfonamide
SMILESCCc1ncc(CNS(=O)(=O)c2c(F)cc(F)cc2F)[nH]1
InChIInChI=1S/C12H12F3N3O2S/c1-2-11-16-5-8(18-11)6-17-21(19,20)12-9(14)3-7(13)4-10(12)15/h3-5,17H,2,6H2,1H3,(H,16,18)
InChIKeyLPIMHMQOMLRHCZ-UHFFFAOYSA-N
XLogP1.87
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,4,6-trifluorobenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,4,6-trifluorobenzenesulfonamide?
The IUPAC name of N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,4,6-trifluorobenzenesulfonamide (CID 167771163) is N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,4,6-trifluorobenzenesulfonamide.
What is the SMILES notation for N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,4,6-trifluorobenzenesulfonamide?
The canonical SMILES for N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,4,6-trifluorobenzenesulfonamide is CCc1ncc(CNS(=O)(=O)c2c(F)cc(F)cc2F)[nH]1.
What is the InChIKey of N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,4,6-trifluorobenzenesulfonamide?
The InChIKey is LPIMHMQOMLRHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2S/c1-2-11-16-5-8(18-11)6-17-21(19,20)12-9(14)3-7(13)4-10(12)15/h3-5,17H,2,6H2,1H3,(H,16,18).
What are the key properties of N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,4,6-trifluorobenzenesulfonamide?
N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,4,6-trifluorobenzenesulfonamide has a molecular weight of 319.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,4,6-trifluorobenzenesulfonamide is sourced from PubChem (CID 167771163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).