2-(4-methylphenyl)sulfonyl-2-phenylacetaldehyde

C15H14O3S — CID 4228217

IUPAC2-(4-methylphenyl)sulfonyl-2-phenylacetaldehyde
SMILESCc1ccc(S(=O)(=O)C(C=O)c2ccccc2)cc1
InChIInChI=1S/C15H14O3S/c1-12-7-9-14(10-8-12)19(17,18)15(11-16)13-5-3-2-4-6-13/h2-11,15H,1H3
InChIKeyJFVOBSXXARFLDJ-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.71
Rot. Bonds4

About 2-(4-methylphenyl)sulfonyl-2-phenylacetaldehyde

2-(4-methylphenyl)sulfonyl-2-phenylacetaldehyde (PubChem CID 4228217) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-2-phenylacetaldehyde
PubChem CID4228217
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name2-(4-methylphenyl)sulfonyl-2-phenylacetaldehyde
SMILESCc1ccc(S(=O)(=O)C(C=O)c2ccccc2)cc1
InChIInChI=1S/C15H14O3S/c1-12-7-9-14(10-8-12)19(17,18)15(11-16)13-5-3-2-4-6-13/h2-11,15H,1H3
InChIKeyJFVOBSXXARFLDJ-UHFFFAOYSA-N
XLogP2.71
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methylphenyl)sulfonyl-2-phenylacetaldehyde 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 2-(4-methylphenyl)sulfonyl-2-phenylacetaldehyde?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-2-phenylacetaldehyde (CID 4228217) is 2-(4-methylphenyl)sulfonyl-2-phenylacetaldehyde.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-2-phenylacetaldehyde?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-2-phenylacetaldehyde is Cc1ccc(S(=O)(=O)C(C=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-2-phenylacetaldehyde?
The InChIKey is JFVOBSXXARFLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-12-7-9-14(10-8-12)19(17,18)15(11-16)13-5-3-2-4-6-13/h2-11,15H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-2-phenylacetaldehyde?
2-(4-methylphenyl)sulfonyl-2-phenylacetaldehyde has a molecular weight of 274.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-2-phenylacetaldehyde is sourced from PubChem (CID 4228217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).