2-(furan-3-ylsulfonylamino)butanoic acid

C8H11NO5S — CID 68877528

IUPAC2-(furan-3-ylsulfonylamino)butanoic acid
SMILESCCC(NS(=O)(=O)c1ccoc1)C(=O)O
InChIInChI=1S/C8H11NO5S/c1-2-7(8(10)11)9-15(12,13)6-3-4-14-5-6/h3-5,7,9H,2H2,1H3,(H,10,11)
InChIKeyKLLVLPPJEUPZTE-UHFFFAOYSA-N
MW233.24 g/mol
LogP0.42
Rot. Bonds5

About 2-(furan-3-ylsulfonylamino)butanoic acid

2-(furan-3-ylsulfonylamino)butanoic acid (PubChem CID 68877528) has the molecular formula C8H11NO5S and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-(furan-3-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name2-(furan-3-ylsulfonylamino)butanoic acid
PubChem CID68877528
Molecular FormulaC8H11NO5S
Molecular Weight233.24 g/mol
Exact Mass233.04
IUPAC Name2-(furan-3-ylsulfonylamino)butanoic acid
SMILESCCC(NS(=O)(=O)c1ccoc1)C(=O)O
InChIInChI=1S/C8H11NO5S/c1-2-7(8(10)11)9-15(12,13)6-3-4-14-5-6/h3-5,7,9H,2H2,1H3,(H,10,11)
InChIKeyKLLVLPPJEUPZTE-UHFFFAOYSA-N
XLogP0.42
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylsulfonylamino)butanoic acid?
The IUPAC name of 2-(furan-3-ylsulfonylamino)butanoic acid (CID 68877528) is 2-(furan-3-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 2-(furan-3-ylsulfonylamino)butanoic acid?
The canonical SMILES for 2-(furan-3-ylsulfonylamino)butanoic acid is CCC(NS(=O)(=O)c1ccoc1)C(=O)O.
What is the InChIKey of 2-(furan-3-ylsulfonylamino)butanoic acid?
The InChIKey is KLLVLPPJEUPZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5S/c1-2-7(8(10)11)9-15(12,13)6-3-4-14-5-6/h3-5,7,9H,2H2,1H3,(H,10,11).
What are the key properties of 2-(furan-3-ylsulfonylamino)butanoic acid?
2-(furan-3-ylsulfonylamino)butanoic acid has a molecular weight of 233.24 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 68877528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).