5-[(4-chlorophenyl)sulfonylmethyl]furan-2-carbaldehyde

C12H9ClO4S — CID 113372614

IUPAC5-[(4-chlorophenyl)sulfonylmethyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H9ClO4S/c13-9-1-5-12(6-2-9)18(15,16)8-11-4-3-10(7-14)17-11/h1-7H,8H2
InChIKeyGLXWYXPXUDPYPZ-UHFFFAOYSA-N
MW284.72 g/mol
LogP2.72
Rot. Bonds4

About 5-[(4-chlorophenyl)sulfonylmethyl]furan-2-carbaldehyde

5-[(4-chlorophenyl)sulfonylmethyl]furan-2-carbaldehyde (PubChem CID 113372614) has the molecular formula C12H9ClO4S and a molecular weight of 284.72 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfonylmethyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfonylmethyl]furan-2-carbaldehyde
PubChem CID113372614
Molecular FormulaC12H9ClO4S
Molecular Weight284.72 g/mol
Exact Mass283.99
IUPAC Name5-[(4-chlorophenyl)sulfonylmethyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H9ClO4S/c13-9-1-5-12(6-2-9)18(15,16)8-11-4-3-10(7-14)17-11/h1-7H,8H2
InChIKeyGLXWYXPXUDPYPZ-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 52.72
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-[(4-chlorophenyl)sulfonylmethyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(4-chlorophenyl)sulfonylmethyl]furan-2-carbaldehyde (CID 113372614) is 5-[(4-chlorophenyl)sulfonylmethyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfonylmethyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(4-chlorophenyl)sulfonylmethyl]furan-2-carbaldehyde is O=Cc1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(4-chlorophenyl)sulfonylmethyl]furan-2-carbaldehyde?
The InChIKey is GLXWYXPXUDPYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO4S/c13-9-1-5-12(6-2-9)18(15,16)8-11-4-3-10(7-14)17-11/h1-7H,8H2.
What are the key properties of 5-[(4-chlorophenyl)sulfonylmethyl]furan-2-carbaldehyde?
5-[(4-chlorophenyl)sulfonylmethyl]furan-2-carbaldehyde has a molecular weight of 284.72 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfonylmethyl]furan-2-carbaldehyde is sourced from PubChem (CID 113372614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).