4-(4-methylphenyl)sulfonylbenzaldehyde

C14H12O3S — CID 11253973

IUPAC4-(4-methylphenyl)sulfonylbenzaldehyde
SMILESCc1ccc(S(=O)(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C14H12O3S/c1-11-2-6-13(7-3-11)18(16,17)14-8-4-12(10-15)5-9-14/h2-10H,1H3
InChIKeyJYKGJEKCKNHIPG-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.64
Rot. Bonds3

About 4-(4-methylphenyl)sulfonylbenzaldehyde

4-(4-methylphenyl)sulfonylbenzaldehyde (PubChem CID 11253973) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonylbenzaldehyde.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonylbenzaldehyde
PubChem CID11253973
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name4-(4-methylphenyl)sulfonylbenzaldehyde
SMILESCc1ccc(S(=O)(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C14H12O3S/c1-11-2-6-13(7-3-11)18(16,17)14-8-4-12(10-15)5-9-14/h2-10H,1H3
InChIKeyJYKGJEKCKNHIPG-UHFFFAOYSA-N
XLogP2.64
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-methylphenyl)sulfonylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonylbenzaldehyde?
The IUPAC name of 4-(4-methylphenyl)sulfonylbenzaldehyde (CID 11253973) is 4-(4-methylphenyl)sulfonylbenzaldehyde.
What is the SMILES notation for 4-(4-methylphenyl)sulfonylbenzaldehyde?
The canonical SMILES for 4-(4-methylphenyl)sulfonylbenzaldehyde is Cc1ccc(S(=O)(=O)c2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonylbenzaldehyde?
The InChIKey is JYKGJEKCKNHIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c1-11-2-6-13(7-3-11)18(16,17)14-8-4-12(10-15)5-9-14/h2-10H,1H3.
What are the key properties of 4-(4-methylphenyl)sulfonylbenzaldehyde?
4-(4-methylphenyl)sulfonylbenzaldehyde has a molecular weight of 260.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonylbenzaldehyde is sourced from PubChem (CID 11253973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).