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

C11H12F3NO5S — CID 61263224

IUPAC2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
SMILESCC(C)(NS(=O)(=O)c1cccc(OC(F)(F)F)c1)C(=O)O
InChIInChI=1S/C11H12F3NO5S/c1-10(2,9(16)17)15-21(18,19)8-5-3-4-7(6-8)20-11(12,13)14/h3-6,15H,1-2H3,(H,16,17)
InChIKeyAENDMJOWXCSQBH-UHFFFAOYSA-N
MW327.28 g/mol
LogP1.73
Rot. Bonds5

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

2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid (PubChem CID 61263224) has the molecular formula C11H12F3NO5S and a molecular weight of 327.28 g/mol. Its IUPAC name is 2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
PubChem CID61263224
Molecular FormulaC11H12F3NO5S
Molecular Weight327.28 g/mol
Exact Mass327.04
IUPAC Name2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
SMILESCC(C)(NS(=O)(=O)c1cccc(OC(F)(F)F)c1)C(=O)O
InChIInChI=1S/C11H12F3NO5S/c1-10(2,9(16)17)15-21(18,19)8-5-3-4-7(6-8)20-11(12,13)14/h3-6,15H,1-2H3,(H,16,17)
InChIKeyAENDMJOWXCSQBH-UHFFFAOYSA-N
XLogP1.73
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61262307
2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263769
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 60726679
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(trifluoromethoxy)benzenesulfonamide
CID 119981759
N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31688238
N-[2-(methylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 62659680
N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31669223
N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 86922473
2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263772
N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 24662483

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid (CID 61263224) is 2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid is CC(C)(NS(=O)(=O)c1cccc(OC(F)(F)F)c1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid?
The InChIKey is AENDMJOWXCSQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO5S/c1-10(2,9(16)17)15-21(18,19)8-5-3-4-7(6-8)20-11(12,13)14/h3-6,15H,1-2H3,(H,16,17).
What are the key properties of 2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid?
2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid has a molecular weight of 327.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid is sourced from PubChem (CID 61263224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).