2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid

C10H8FNO5S — CID 15158757

IUPAC2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C10H8FNO5S/c11-7-3-1-2-6-4-9(17-10(6)7)18(15,16)12-5-8(13)14/h1-4,12H,5H2,(H,13,14)
InChIKeyXWWMVGKWGXAVKN-UHFFFAOYSA-N
MW273.24 g/mol
LogP0.93
Rot. Bonds4

About 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid

2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid (PubChem CID 15158757) has the molecular formula C10H8FNO5S and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid
PubChem CID15158757
Molecular FormulaC10H8FNO5S
Molecular Weight273.24 g/mol
Exact Mass273.01
IUPAC Name2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C10H8FNO5S/c11-7-3-1-2-6-4-9(17-10(6)7)18(15,16)12-5-8(13)14/h1-4,12H,5H2,(H,13,14)
InChIKeyXWWMVGKWGXAVKN-UHFFFAOYSA-N
XLogP0.93
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid (CID 15158757) is 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1cc2cccc(F)c2o1.
What is the InChIKey of 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid?
The InChIKey is XWWMVGKWGXAVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO5S/c11-7-3-1-2-6-4-9(17-10(6)7)18(15,16)12-5-8(13)14/h1-4,12H,5H2,(H,13,14).
What are the key properties of 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid?
2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid has a molecular weight of 273.24 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 15158757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).