5-(benzenesulfonyl)furan-2-carbaldehyde

C11H8O4S — CID 676852

IUPAC5-(benzenesulfonyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(S(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C11H8O4S/c12-8-9-6-7-11(15-9)16(13,14)10-4-2-1-3-5-10/h1-8H
InChIKeyTWAKVDWCYBSJDE-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.92
Rot. Bonds3

About 5-(benzenesulfonyl)furan-2-carbaldehyde

5-(benzenesulfonyl)furan-2-carbaldehyde (PubChem CID 676852) has the molecular formula C11H8O4S and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-(benzenesulfonyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(benzenesulfonyl)furan-2-carbaldehyde
PubChem CID676852
Molecular FormulaC11H8O4S
Molecular Weight236.25 g/mol
Exact Mass236.01
IUPAC Name5-(benzenesulfonyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(S(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C11H8O4S/c12-8-9-6-7-11(15-9)16(13,14)10-4-2-1-3-5-10/h1-8H
InChIKeyTWAKVDWCYBSJDE-UHFFFAOYSA-N
XLogP1.92
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)furan-2-carbaldehyde?
The IUPAC name of 5-(benzenesulfonyl)furan-2-carbaldehyde (CID 676852) is 5-(benzenesulfonyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(benzenesulfonyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(benzenesulfonyl)furan-2-carbaldehyde is O=Cc1ccc(S(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonyl)furan-2-carbaldehyde?
The InChIKey is TWAKVDWCYBSJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4S/c12-8-9-6-7-11(15-9)16(13,14)10-4-2-1-3-5-10/h1-8H.
What are the key properties of 5-(benzenesulfonyl)furan-2-carbaldehyde?
5-(benzenesulfonyl)furan-2-carbaldehyde has a molecular weight of 236.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)furan-2-carbaldehyde is sourced from PubChem (CID 676852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).