3-(sulfonylamino)-1-benzofuran-2-carboxylic acid

C9H5NO5S — CID 141349937

IUPAC3-(sulfonylamino)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1oc2ccccc2c1N=S(=O)=O
InChIInChI=1S/C9H5NO5S/c11-9(12)8-7(10-16(13)14)5-3-1-2-4-6(5)15-8/h1-4H,(H,11,12)
InChIKeyFAFBPJDRXFZALY-UHFFFAOYSA-N
MW239.21 g/mol
LogP1.83
Rot. Bonds2

About 3-(sulfonylamino)-1-benzofuran-2-carboxylic acid

3-(sulfonylamino)-1-benzofuran-2-carboxylic acid (PubChem CID 141349937) has the molecular formula C9H5NO5S and a molecular weight of 239.21 g/mol. Its IUPAC name is 3-(sulfonylamino)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name3-(sulfonylamino)-1-benzofuran-2-carboxylic acid
PubChem CID141349937
Molecular FormulaC9H5NO5S
Molecular Weight239.21 g/mol
Exact Mass238.99
IUPAC Name3-(sulfonylamino)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1oc2ccccc2c1N=S(=O)=O
InChIInChI=1S/C9H5NO5S/c11-9(12)8-7(10-16(13)14)5-3-1-2-4-6(5)15-8/h1-4H,(H,11,12)
InChIKeyFAFBPJDRXFZALY-UHFFFAOYSA-N
XLogP1.83
TPSA96.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-carboxy-1-benzofuran-3-yl)-1-benzofuran-2-carboxylic acid
CID 164666500
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
2-carboxy-1-benzofuran-3-olate
CID 54715094
3-phenyl-1-benzofuran-2-carboxylic acid
CID 13432338
3-methyl-4-oxochromene-2-carboxylic acid
CID 14958195
3-chlorosulfonyl-1-benzofuran-2-carboxylic acid
CID 155233697
3-pyrrol-1-yl-1-benzofuran-2-carboxylic acid
CID 614848
2-(benzenesulfinylmethyl)-1-benzofuran-3-carboxylic acid
CID 62274634
3-[(thiophen-2-ylmethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103237368
3-(aminomethyl)-1-benzofuran-2-carboxamide
CID 47003249
2-amino-1-benzofuran-3-carboxylic acid
CID 83449008
3-amino-1-benzofuran-2-carboxamide
CID 600546

Frequently Asked Questions

What is the IUPAC name of 3-(sulfonylamino)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 3-(sulfonylamino)-1-benzofuran-2-carboxylic acid (CID 141349937) is 3-(sulfonylamino)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 3-(sulfonylamino)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 3-(sulfonylamino)-1-benzofuran-2-carboxylic acid is O=C(O)c1oc2ccccc2c1N=S(=O)=O.
What is the InChIKey of 3-(sulfonylamino)-1-benzofuran-2-carboxylic acid?
The InChIKey is FAFBPJDRXFZALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO5S/c11-9(12)8-7(10-16(13)14)5-3-1-2-4-6(5)15-8/h1-4H,(H,11,12).
What are the key properties of 3-(sulfonylamino)-1-benzofuran-2-carboxylic acid?
3-(sulfonylamino)-1-benzofuran-2-carboxylic acid has a molecular weight of 239.21 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(sulfonylamino)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 141349937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).