2-[(4-fluorophenyl)sulfonylamino]propanoic acid

C9H10FNO4S — CID 2774751

IUPAC2-[(4-fluorophenyl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C9H10FNO4S/c1-6(9(12)13)11-16(14,15)8-4-2-7(10)3-5-8/h2-6,11H,1H3,(H,12,13)
InChIKeyJOYNOYIEQOCUEJ-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.58
Rot. Bonds4

About 2-[(4-fluorophenyl)sulfonylamino]propanoic acid

2-[(4-fluorophenyl)sulfonylamino]propanoic acid (PubChem CID 2774751) has the molecular formula C9H10FNO4S and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]propanoic acid
PubChem CID2774751
Molecular FormulaC9H10FNO4S
Molecular Weight247.25 g/mol
Exact Mass247.03
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C9H10FNO4S/c1-6(9(12)13)11-16(14,15)8-4-2-7(10)3-5-8/h2-6,11H,1H3,(H,12,13)
InChIKeyJOYNOYIEQOCUEJ-UHFFFAOYSA-N
XLogP0.58
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]propanoic acid?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]propanoic acid (CID 2774751) is 2-[(4-fluorophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]propanoic acid is CC(NS(=O)(=O)c1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]propanoic acid?
The InChIKey is JOYNOYIEQOCUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO4S/c1-6(9(12)13)11-16(14,15)8-4-2-7(10)3-5-8/h2-6,11H,1H3,(H,12,13).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]propanoic acid?
2-[(4-fluorophenyl)sulfonylamino]propanoic acid has a molecular weight of 247.25 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 2774751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).