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

C11H10FNO5S — CID 122693538

IUPAC2-[(5-fluoro-1-benzofuran-2-yl)sulfonyl-methylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C11H10FNO5S/c1-13(6-10(14)15)19(16,17)11-5-7-4-8(12)2-3-9(7)18-11/h2-5H,6H2,1H3,(H,14,15)
InChIKeyUVPQWGMKLMICRM-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.28
Rot. Bonds4

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

2-[(5-fluoro-1-benzofuran-2-yl)sulfonyl-methylamino]acetic acid (PubChem CID 122693538) has the molecular formula C11H10FNO5S and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[(5-fluoro-1-benzofuran-2-yl)sulfonyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-fluoro-1-benzofuran-2-yl)sulfonyl-methylamino]acetic acid
PubChem CID122693538
Molecular FormulaC11H10FNO5S
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC Name2-[(5-fluoro-1-benzofuran-2-yl)sulfonyl-methylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C11H10FNO5S/c1-13(6-10(14)15)19(16,17)11-5-7-4-8(12)2-3-9(7)18-11/h2-5H,6H2,1H3,(H,14,15)
InChIKeyUVPQWGMKLMICRM-UHFFFAOYSA-N
XLogP1.28
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-fluoro-1-benzofuran-2-yl)sulfonyl-methylamino]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]acetamide
CID 122685644
1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 134561922
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241803
2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid
CID 43237883
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide
CID 110486839
5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide
CID 111694876
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
CID 109388505
(5-fluoro-1-benzofuran-2-yl) hydrogen carbonate
CID 69363266
2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol
CID 114726918
diethyl 2-(5-fluoro-1-benzofuran-2-yl)propanedioate
CID 114732709
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid
CID 60831048

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-1-benzofuran-2-yl)sulfonyl-methylamino]acetic acid?
The IUPAC name of 2-[(5-fluoro-1-benzofuran-2-yl)sulfonyl-methylamino]acetic acid (CID 122693538) is 2-[(5-fluoro-1-benzofuran-2-yl)sulfonyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-fluoro-1-benzofuran-2-yl)sulfonyl-methylamino]acetic acid?
The canonical SMILES for 2-[(5-fluoro-1-benzofuran-2-yl)sulfonyl-methylamino]acetic acid is CN(CC(=O)O)S(=O)(=O)c1cc2cc(F)ccc2o1.
What is the InChIKey of 2-[(5-fluoro-1-benzofuran-2-yl)sulfonyl-methylamino]acetic acid?
The InChIKey is UVPQWGMKLMICRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO5S/c1-13(6-10(14)15)19(16,17)11-5-7-4-8(12)2-3-9(7)18-11/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-[(5-fluoro-1-benzofuran-2-yl)sulfonyl-methylamino]acetic acid?
2-[(5-fluoro-1-benzofuran-2-yl)sulfonyl-methylamino]acetic acid has a molecular weight of 287.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-1-benzofuran-2-yl)sulfonyl-methylamino]acetic acid is sourced from PubChem (CID 122693538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).