3-(5-formylfuran-2-yl)benzenesulfonamide

C11H9NO4S — CID 721835

IUPAC3-(5-formylfuran-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(C=O)o2)c1
InChIInChI=1S/C11H9NO4S/c12-17(14,15)10-3-1-2-8(6-10)11-5-4-9(7-13)16-11/h1-7H,(H2,12,14,15)
InChIKeyALJNYCGSRQOCAN-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.41
Rot. Bonds3

About 3-(5-formylfuran-2-yl)benzenesulfonamide

3-(5-formylfuran-2-yl)benzenesulfonamide (PubChem CID 721835) has the molecular formula C11H9NO4S and a molecular weight of 251.26 g/mol. Its IUPAC name is 3-(5-formylfuran-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5-formylfuran-2-yl)benzenesulfonamide
PubChem CID721835
Molecular FormulaC11H9NO4S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC Name3-(5-formylfuran-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(C=O)o2)c1
InChIInChI=1S/C11H9NO4S/c12-17(14,15)10-3-1-2-8(6-10)11-5-4-9(7-13)16-11/h1-7H,(H2,12,14,15)
InChIKeyALJNYCGSRQOCAN-UHFFFAOYSA-N
XLogP1.41
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
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 3-(5-formylfuran-2-yl)benzenesulfonamide?
The IUPAC name of 3-(5-formylfuran-2-yl)benzenesulfonamide (CID 721835) is 3-(5-formylfuran-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(5-formylfuran-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(5-formylfuran-2-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc(C=O)o2)c1.
What is the InChIKey of 3-(5-formylfuran-2-yl)benzenesulfonamide?
The InChIKey is ALJNYCGSRQOCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S/c12-17(14,15)10-3-1-2-8(6-10)11-5-4-9(7-13)16-11/h1-7H,(H2,12,14,15).
What are the key properties of 3-(5-formylfuran-2-yl)benzenesulfonamide?
3-(5-formylfuran-2-yl)benzenesulfonamide has a molecular weight of 251.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-formylfuran-2-yl)benzenesulfonamide is sourced from PubChem (CID 721835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).