3,3,3-trifluoro-2-methyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propanoic acid

C8H10F3N3O4S — CID 79793100

IUPAC3,3,3-trifluoro-2-methyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propanoic acid
SMILESCc1ncc(S(=O)(=O)NC(C)(C(=O)O)C(F)(F)F)[nH]1
InChIInChI=1S/C8H10F3N3O4S/c1-4-12-3-5(13-4)19(17,18)14-7(2,6(15)16)8(9,10)11/h3,14H,1-2H3,(H,12,13)(H,15,16)
InChIKeyBRBNZFWDDVOCEI-UHFFFAOYSA-N
MW301.25 g/mol
LogP0.40
Rot. Bonds4

About 3,3,3-trifluoro-2-methyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propanoic acid (PubChem CID 79793100) has the molecular formula C8H10F3N3O4S and a molecular weight of 301.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propanoic acid
PubChem CID79793100
Molecular FormulaC8H10F3N3O4S
Molecular Weight301.25 g/mol
Exact Mass301.03
IUPAC Name3,3,3-trifluoro-2-methyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propanoic acid
SMILESCc1ncc(S(=O)(=O)NC(C)(C(=O)O)C(F)(F)F)[nH]1
InChIInChI=1S/C8H10F3N3O4S/c1-4-12-3-5(13-4)19(17,18)14-7(2,6(15)16)8(9,10)11/h3,14H,1-2H3,(H,12,13)(H,15,16)
InChIKeyBRBNZFWDDVOCEI-UHFFFAOYSA-N
XLogP0.40
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,3,3-trifluoro-2-methyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propanoic 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-methyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propanoic acid (CID 79793100) is 3,3,3-trifluoro-2-methyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propanoic acid is Cc1ncc(S(=O)(=O)NC(C)(C(=O)O)C(F)(F)F)[nH]1.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propanoic acid?
The InChIKey is BRBNZFWDDVOCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O4S/c1-4-12-3-5(13-4)19(17,18)14-7(2,6(15)16)8(9,10)11/h3,14H,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propanoic acid has a molecular weight of 301.25 g/mol, XLogP of 0.40, 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-methyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 79793100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).