2-(1-benzofuran-2-ylsulfonylamino)-2-cyclopropylacetic acid

C13H13NO5S — CID 136533044

IUPAC2-(1-benzofuran-2-ylsulfonylamino)-2-cyclopropylacetic acid
SMILESO=C(O)C(NS(=O)(=O)c1cc2ccccc2o1)C1CC1
InChIInChI=1S/C13H13NO5S/c15-13(16)12(8-5-6-8)14-20(17,18)11-7-9-3-1-2-4-10(9)19-11/h1-4,7-8,12,14H,5-6H2,(H,15,16)
InChIKeyWWUUIHISQZVUMM-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.57
Rot. Bonds5

About 2-(1-benzofuran-2-ylsulfonylamino)-2-cyclopropylacetic acid

2-(1-benzofuran-2-ylsulfonylamino)-2-cyclopropylacetic acid (PubChem CID 136533044) has the molecular formula C13H13NO5S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-(1-benzofuran-2-ylsulfonylamino)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(1-benzofuran-2-ylsulfonylamino)-2-cyclopropylacetic acid
PubChem CID136533044
Molecular FormulaC13H13NO5S
Molecular Weight295.32 g/mol
Exact Mass295.05
IUPAC Name2-(1-benzofuran-2-ylsulfonylamino)-2-cyclopropylacetic acid
SMILESO=C(O)C(NS(=O)(=O)c1cc2ccccc2o1)C1CC1
InChIInChI=1S/C13H13NO5S/c15-13(16)12(8-5-6-8)14-20(17,18)11-7-9-3-1-2-4-10(9)19-11/h1-4,7-8,12,14H,5-6H2,(H,15,16)
InChIKeyWWUUIHISQZVUMM-UHFFFAOYSA-N
XLogP1.57
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-ylsulfonylamino)-2-cyclopropylacetic acid?
The IUPAC name of 2-(1-benzofuran-2-ylsulfonylamino)-2-cyclopropylacetic acid (CID 136533044) is 2-(1-benzofuran-2-ylsulfonylamino)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(1-benzofuran-2-ylsulfonylamino)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(1-benzofuran-2-ylsulfonylamino)-2-cyclopropylacetic acid is O=C(O)C(NS(=O)(=O)c1cc2ccccc2o1)C1CC1.
What is the InChIKey of 2-(1-benzofuran-2-ylsulfonylamino)-2-cyclopropylacetic acid?
The InChIKey is WWUUIHISQZVUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S/c15-13(16)12(8-5-6-8)14-20(17,18)11-7-9-3-1-2-4-10(9)19-11/h1-4,7-8,12,14H,5-6H2,(H,15,16).
What are the key properties of 2-(1-benzofuran-2-ylsulfonylamino)-2-cyclopropylacetic acid?
2-(1-benzofuran-2-ylsulfonylamino)-2-cyclopropylacetic acid has a molecular weight of 295.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-ylsulfonylamino)-2-cyclopropylacetic acid is sourced from PubChem (CID 136533044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).