2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid

C11H12F3NO4S — CID 61263607

IUPAC2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
SMILESCC(C)(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C11H12F3NO4S/c1-10(2,9(16)17)15-20(18,19)8-5-3-4-7(6-8)11(12,13)14/h3-6,15H,1-2H3,(H,16,17)
InChIKeyZITDIYJXTIZRNK-UHFFFAOYSA-N
MW311.28 g/mol
LogP1.85
Rot. Bonds4

About 2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid

2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid (PubChem CID 61263607) has the molecular formula C11H12F3NO4S and a molecular weight of 311.28 g/mol. Its IUPAC name is 2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
PubChem CID61263607
Molecular FormulaC11H12F3NO4S
Molecular Weight311.28 g/mol
Exact Mass311.04
IUPAC Name2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
SMILESCC(C)(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C11H12F3NO4S/c1-10(2,9(16)17)15-20(18,19)8-5-3-4-7(6-8)11(12,13)14/h3-6,15H,1-2H3,(H,16,17)
InChIKeyZITDIYJXTIZRNK-UHFFFAOYSA-N
XLogP1.85
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61262307
2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 61263224
2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263769
N-(1-amino-2-methylpropan-2-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975376
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CID 81218082
N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide
CID 82724634
4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 697781
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 8762521

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid (CID 61263607) is 2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid is CC(C)(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid?
The InChIKey is ZITDIYJXTIZRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO4S/c1-10(2,9(16)17)15-20(18,19)8-5-3-4-7(6-8)11(12,13)14/h3-6,15H,1-2H3,(H,16,17).
What are the key properties of 2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid?
2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid has a molecular weight of 311.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid is sourced from PubChem (CID 61263607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).