5-(benzenesulfonyl)furan-2-carboxylic acid

C11H8O5S — CID 4181577

IUPAC5-(benzenesulfonyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C11H8O5S/c12-11(13)9-6-7-10(16-9)17(14,15)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKeyTYCIQFHQQLLQDA-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.81
Rot. Bonds3

About 5-(benzenesulfonyl)furan-2-carboxylic acid

5-(benzenesulfonyl)furan-2-carboxylic acid (PubChem CID 4181577) has the molecular formula C11H8O5S and a molecular weight of 252.25 g/mol. Its IUPAC name is 5-(benzenesulfonyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(benzenesulfonyl)furan-2-carboxylic acid
PubChem CID4181577
Molecular FormulaC11H8O5S
Molecular Weight252.25 g/mol
Exact Mass252.01
IUPAC Name5-(benzenesulfonyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C11H8O5S/c12-11(13)9-6-7-10(16-9)17(14,15)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKeyTYCIQFHQQLLQDA-UHFFFAOYSA-N
XLogP1.81
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)furan-2-carboxylic acid?
The IUPAC name of 5-(benzenesulfonyl)furan-2-carboxylic acid (CID 4181577) is 5-(benzenesulfonyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(benzenesulfonyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(benzenesulfonyl)furan-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonyl)furan-2-carboxylic acid?
The InChIKey is TYCIQFHQQLLQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O5S/c12-11(13)9-6-7-10(16-9)17(14,15)8-4-2-1-3-5-8/h1-7H,(H,12,13).
What are the key properties of 5-(benzenesulfonyl)furan-2-carboxylic acid?
5-(benzenesulfonyl)furan-2-carboxylic acid has a molecular weight of 252.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)furan-2-carboxylic acid is sourced from PubChem (CID 4181577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).