3-[(3,4-difluorophenyl)sulfonylamino]propanoic acid

C9H9F2NO4S — CID 2512736

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2NO4S/c10-7-2-1-6(5-8(7)11)17(15,16)12-4-3-9(13)14/h1-2,5,12H,3-4H2,(H,13,14)
InChIKeyFOIFMFUVGLKIPE-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.72
Rot. Bonds5

About 3-[(3,4-difluorophenyl)sulfonylamino]propanoic acid

3-[(3,4-difluorophenyl)sulfonylamino]propanoic acid (PubChem CID 2512736) has the molecular formula C9H9F2NO4S and a molecular weight of 265.24 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]propanoic acid
PubChem CID2512736
Molecular FormulaC9H9F2NO4S
Molecular Weight265.24 g/mol
Exact Mass265.02
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2NO4S/c10-7-2-1-6(5-8(7)11)17(15,16)12-4-3-9(13)14/h1-2,5,12H,3-4H2,(H,13,14)
InChIKeyFOIFMFUVGLKIPE-UHFFFAOYSA-N
XLogP0.72
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]propanoic acid (CID 2512736) is 3-[(3,4-difluorophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]propanoic acid is O=C(O)CCNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]propanoic acid?
The InChIKey is FOIFMFUVGLKIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO4S/c10-7-2-1-6(5-8(7)11)17(15,16)12-4-3-9(13)14/h1-2,5,12H,3-4H2,(H,13,14).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]propanoic acid?
3-[(3,4-difluorophenyl)sulfonylamino]propanoic acid has a molecular weight of 265.24 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 2512736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).