3-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxypropanoic acid

C8H9FN2O5S — CID 103298848

IUPAC3-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C8H9FN2O5S/c9-5-2-1-3-10-7(5)17(15,16)11-4-6(12)8(13)14/h1-3,6,11-12H,4H2,(H,13,14)
InChIKeyZEKUSIBGLNBZDX-UHFFFAOYSA-N
MW264.23 g/mol
LogP-1.06
Rot. Bonds5

About 3-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxypropanoic acid

3-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxypropanoic acid (PubChem CID 103298848) has the molecular formula C8H9FN2O5S and a molecular weight of 264.23 g/mol. Its IUPAC name is 3-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxypropanoic acid
PubChem CID103298848
Molecular FormulaC8H9FN2O5S
Molecular Weight264.23 g/mol
Exact Mass264.02
IUPAC Name3-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C8H9FN2O5S/c9-5-2-1-3-10-7(5)17(15,16)11-4-6(12)8(13)14/h1-3,6,11-12H,4H2,(H,13,14)
InChIKeyZEKUSIBGLNBZDX-UHFFFAOYSA-N
XLogP-1.06
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxypropanoic acid (CID 103298848) is 3-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxypropanoic acid is O=C(O)C(O)CNS(=O)(=O)c1ncccc1F.
What is the InChIKey of 3-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxypropanoic acid?
The InChIKey is ZEKUSIBGLNBZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O5S/c9-5-2-1-3-10-7(5)17(15,16)11-4-6(12)8(13)14/h1-3,6,11-12H,4H2,(H,13,14).
What are the key properties of 3-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxypropanoic acid?
3-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxypropanoic acid has a molecular weight of 264.23 g/mol, XLogP of -1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 103298848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).