3,3,3-trifluoro-2-(1H-imidazol-5-ylsulfonylamino)-2-methylpropanoic acid

C7H8F3N3O4S — CID 79792273

IUPAC3,3,3-trifluoro-2-(1H-imidazol-5-ylsulfonylamino)-2-methylpropanoic acid
SMILESCC(NS(=O)(=O)c1cnc[nH]1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H8F3N3O4S/c1-6(5(14)15,7(8,9)10)13-18(16,17)4-2-11-3-12-4/h2-3,13H,1H3,(H,11,12)(H,14,15)
InChIKeyUYRRXZTWLUBKQB-UHFFFAOYSA-N
MW287.22 g/mol
LogP0.09
Rot. Bonds4

About 3,3,3-trifluoro-2-(1H-imidazol-5-ylsulfonylamino)-2-methylpropanoic acid

3,3,3-trifluoro-2-(1H-imidazol-5-ylsulfonylamino)-2-methylpropanoic acid (PubChem CID 79792273) has the molecular formula C7H8F3N3O4S and a molecular weight of 287.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(1H-imidazol-5-ylsulfonylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(1H-imidazol-5-ylsulfonylamino)-2-methylpropanoic acid
PubChem CID79792273
Molecular FormulaC7H8F3N3O4S
Molecular Weight287.22 g/mol
Exact Mass287.02
IUPAC Name3,3,3-trifluoro-2-(1H-imidazol-5-ylsulfonylamino)-2-methylpropanoic acid
SMILESCC(NS(=O)(=O)c1cnc[nH]1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H8F3N3O4S/c1-6(5(14)15,7(8,9)10)13-18(16,17)4-2-11-3-12-4/h2-3,13H,1H3,(H,11,12)(H,14,15)
InChIKeyUYRRXZTWLUBKQB-UHFFFAOYSA-N
XLogP0.09
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,3,3-trifluoro-2-(1H-imidazol-5-ylsulfonylamino)-2-methylpropanoic acid 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 3,3,3-trifluoro-2-(1H-imidazol-5-ylsulfonylamino)-2-methylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-(1H-imidazol-5-ylsulfonylamino)-2-methylpropanoic acid (CID 79792273) is 3,3,3-trifluoro-2-(1H-imidazol-5-ylsulfonylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-(1H-imidazol-5-ylsulfonylamino)-2-methylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-(1H-imidazol-5-ylsulfonylamino)-2-methylpropanoic acid is CC(NS(=O)(=O)c1cnc[nH]1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(1H-imidazol-5-ylsulfonylamino)-2-methylpropanoic acid?
The InChIKey is UYRRXZTWLUBKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O4S/c1-6(5(14)15,7(8,9)10)13-18(16,17)4-2-11-3-12-4/h2-3,13H,1H3,(H,11,12)(H,14,15).
What are the key properties of 3,3,3-trifluoro-2-(1H-imidazol-5-ylsulfonylamino)-2-methylpropanoic acid?
3,3,3-trifluoro-2-(1H-imidazol-5-ylsulfonylamino)-2-methylpropanoic acid has a molecular weight of 287.22 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(1H-imidazol-5-ylsulfonylamino)-2-methylpropanoic acid is sourced from PubChem (CID 79792273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).