2-[2-[(3-fluoro-2-pyridinyl)sulfonylamino]ethoxy]acetic acid

C9H11FN2O5S — CID 103298865

IUPAC2-[2-[(3-fluoro-2-pyridinyl)sulfonylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H11FN2O5S/c10-7-2-1-3-11-9(7)18(15,16)12-4-5-17-6-8(13)14/h1-3,12H,4-6H2,(H,13,14)
InChIKeyKBBVHZRWZAAHIF-UHFFFAOYSA-N
MW278.26 g/mol
LogP-0.40
Rot. Bonds7

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

2-[2-[(3-fluoro-2-pyridinyl)sulfonylamino]ethoxy]acetic acid (PubChem CID 103298865) has the molecular formula C9H11FN2O5S and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-[2-[(3-fluoro-2-pyridinyl)sulfonylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-fluoro-2-pyridinyl)sulfonylamino]ethoxy]acetic acid
PubChem CID103298865
Molecular FormulaC9H11FN2O5S
Molecular Weight278.26 g/mol
Exact Mass278.04
IUPAC Name2-[2-[(3-fluoro-2-pyridinyl)sulfonylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H11FN2O5S/c10-7-2-1-3-11-9(7)18(15,16)12-4-5-17-6-8(13)14/h1-3,12H,4-6H2,(H,13,14)
InChIKeyKBBVHZRWZAAHIF-UHFFFAOYSA-N
XLogP-0.40
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[2-[(3-fluoro-2-pyridinyl)sulfonylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(3-fluoro-2-pyridinyl)sulfonylamino]ethoxy]acetic acid (CID 103298865) is 2-[2-[(3-fluoro-2-pyridinyl)sulfonylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-fluoro-2-pyridinyl)sulfonylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-fluoro-2-pyridinyl)sulfonylamino]ethoxy]acetic acid is O=C(O)COCCNS(=O)(=O)c1ncccc1F.
What is the InChIKey of 2-[2-[(3-fluoro-2-pyridinyl)sulfonylamino]ethoxy]acetic acid?
The InChIKey is KBBVHZRWZAAHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O5S/c10-7-2-1-3-11-9(7)18(15,16)12-4-5-17-6-8(13)14/h1-3,12H,4-6H2,(H,13,14).
What are the key properties of 2-[2-[(3-fluoro-2-pyridinyl)sulfonylamino]ethoxy]acetic acid?
2-[2-[(3-fluoro-2-pyridinyl)sulfonylamino]ethoxy]acetic acid has a molecular weight of 278.26 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-fluoro-2-pyridinyl)sulfonylamino]ethoxy]acetic acid is sourced from PubChem (CID 103298865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).