2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid

C10H8FNO5S — CID 122693540

IUPAC2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C10H8FNO5S/c11-7-1-2-8-6(3-7)4-10(17-8)18(15,16)12-5-9(13)14/h1-4,12H,5H2,(H,13,14)
InChIKeyUTUXFBNFYISOIN-UHFFFAOYSA-N
MW273.24 g/mol
LogP0.93
Rot. Bonds4

About 2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid

2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid (PubChem CID 122693540) has the molecular formula C10H8FNO5S and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid
PubChem CID122693540
Molecular FormulaC10H8FNO5S
Molecular Weight273.24 g/mol
Exact Mass273.01
IUPAC Name2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C10H8FNO5S/c11-7-1-2-8-6(3-7)4-10(17-8)18(15,16)12-5-9(13)14/h1-4,12H,5H2,(H,13,14)
InChIKeyUTUXFBNFYISOIN-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

Analyze 2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzofuran-2-Sulfonamide
CID 10750432
Biphenylsulfonamide carboxylate, 23
CID 24901488
(2S)-3-methyl-2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-4-sulfonamido}butanoic acid
CID 25263245
[(Dibenzofuran-2-sulfonyl)-methyl-amino]-acetic acid
CID 587478
(2R)-3-methyl-2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-4-sulfonamido}butanoic acid
CID 25263244
N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzo[b,d]furan-2-sulfonamide
CID 2972762
N-(dibenzo[b,d]furan-2-ylsulfonyl)-4-fluorophenylalanine
CID 5296329
5-Fluoro-1-benzofuran-2-sulfonyl chloride
CID 83896263
1-(1-Benzofuran-2-ylsulfonyl)pyrrolidine
CID 71973607
N-[2-(2-fluorophenyl)-2-oxoethyl]-2,3-dihydro-1-benzofuran-6-sulfonamide
CID 177371950
4-(1-Benzofuran-2-sulfonyl)morpholine
CID 75494903
Pentamethylbenzofurylsulfonylalanine fluoride
CID 129872364

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid (CID 122693540) is 2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1cc2cc(F)ccc2o1.
What is the InChIKey of 2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid?
The InChIKey is UTUXFBNFYISOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO5S/c11-7-1-2-8-6(3-7)4-10(17-8)18(15,16)12-5-9(13)14/h1-4,12H,5H2,(H,13,14).
What are the key properties of 2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid?
2-[(5-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-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 122693540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).