3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid

C9H8F3NO4S — CID 54881721

IUPAC3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H8F3NO4S/c10-5-3-6(11)9(7(12)4-5)18(16,17)13-2-1-8(14)15/h3-4,13H,1-2H2,(H,14,15)
InChIKeyZDLYGYAVAHRNLK-UHFFFAOYSA-N
MW283.23 g/mol
LogP0.86
Rot. Bonds5

About 3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid

3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid (PubChem CID 54881721) has the molecular formula C9H8F3NO4S and a molecular weight of 283.23 g/mol. Its IUPAC name is 3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid
PubChem CID54881721
Molecular FormulaC9H8F3NO4S
Molecular Weight283.23 g/mol
Exact Mass283.01
IUPAC Name3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H8F3NO4S/c10-5-3-6(11)9(7(12)4-5)18(16,17)13-2-1-8(14)15/h3-4,13H,1-2H2,(H,14,15)
InChIKeyZDLYGYAVAHRNLK-UHFFFAOYSA-N
XLogP0.86
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoic acid
CID 43091467
2,4,6-trifluoro-N-propylbenzenesulfonamide
CID 60971458
4-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]butanoic acid
CID 122067620
2-[(2,4,6-trifluorophenyl)sulfonylamino]acetamide
CID 64590449
methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 60639552
3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
CID 697936
N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide
CID 76952828
3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoic acid
CID 697756
2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide
CID 47358735
2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 83030525
7-[(3,5-difluorophenyl)sulfonylamino]heptanoic acid
CID 43241563
2-[[(2,4,6-trifluorophenyl)sulfonylamino]methyl]pentanoic acid
CID 65223007

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid (CID 54881721) is 3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid is O=C(O)CCNS(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid?
The InChIKey is ZDLYGYAVAHRNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO4S/c10-5-3-6(11)9(7(12)4-5)18(16,17)13-2-1-8(14)15/h3-4,13H,1-2H2,(H,14,15).
What are the key properties of 3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid?
3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid has a molecular weight of 283.23 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 54881721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).