5-[(3-fluoro-2-pyridinyl)sulfonylamino]pentanoic acid

C10H13FN2O4S — CID 103298810

IUPAC5-[(3-fluoro-2-pyridinyl)sulfonylamino]pentanoic acid
SMILESO=C(O)CCCCNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C10H13FN2O4S/c11-8-4-3-6-12-10(8)18(16,17)13-7-2-1-5-9(14)15/h3-4,6,13H,1-2,5,7H2,(H,14,15)
InChIKeyYIUWRESWGNITQL-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.75
Rot. Bonds7

About 5-[(3-fluoro-2-pyridinyl)sulfonylamino]pentanoic acid

5-[(3-fluoro-2-pyridinyl)sulfonylamino]pentanoic acid (PubChem CID 103298810) has the molecular formula C10H13FN2O4S and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-[(3-fluoro-2-pyridinyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name5-[(3-fluoro-2-pyridinyl)sulfonylamino]pentanoic acid
PubChem CID103298810
Molecular FormulaC10H13FN2O4S
Molecular Weight276.29 g/mol
Exact Mass276.06
IUPAC Name5-[(3-fluoro-2-pyridinyl)sulfonylamino]pentanoic acid
SMILESO=C(O)CCCCNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C10H13FN2O4S/c11-8-4-3-6-12-10(8)18(16,17)13-7-2-1-5-9(14)15/h3-4,6,13H,1-2,5,7H2,(H,14,15)
InChIKeyYIUWRESWGNITQL-UHFFFAOYSA-N
XLogP0.75
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-2-pyridinyl)sulfonylamino]pentanoic acid?
The IUPAC name of 5-[(3-fluoro-2-pyridinyl)sulfonylamino]pentanoic acid (CID 103298810) is 5-[(3-fluoro-2-pyridinyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 5-[(3-fluoro-2-pyridinyl)sulfonylamino]pentanoic acid?
The canonical SMILES for 5-[(3-fluoro-2-pyridinyl)sulfonylamino]pentanoic acid is O=C(O)CCCCNS(=O)(=O)c1ncccc1F.
What is the InChIKey of 5-[(3-fluoro-2-pyridinyl)sulfonylamino]pentanoic acid?
The InChIKey is YIUWRESWGNITQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4S/c11-8-4-3-6-12-10(8)18(16,17)13-7-2-1-5-9(14)15/h3-4,6,13H,1-2,5,7H2,(H,14,15).
What are the key properties of 5-[(3-fluoro-2-pyridinyl)sulfonylamino]pentanoic acid?
5-[(3-fluoro-2-pyridinyl)sulfonylamino]pentanoic acid has a molecular weight of 276.29 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-2-pyridinyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 103298810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).