3-(4-methylphenyl)sulfonyl-3H-2-benzofuran-1-one

C15H12O4S — CID 14761833

IUPAC3-(4-methylphenyl)sulfonyl-3H-2-benzofuran-1-one
SMILESCc1ccc(S(=O)(=O)C2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C15H12O4S/c1-10-6-8-11(9-7-10)20(17,18)15-13-5-3-2-4-12(13)14(16)19-15/h2-9,15H,1H3
InChIKeyINCMPZRSLIDOGE-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.64
Rot. Bonds2

About 3-(4-methylphenyl)sulfonyl-3H-2-benzofuran-1-one

3-(4-methylphenyl)sulfonyl-3H-2-benzofuran-1-one (PubChem CID 14761833) has the molecular formula C15H12O4S and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-3H-2-benzofuran-1-one
PubChem CID14761833
Molecular FormulaC15H12O4S
Molecular Weight288.32 g/mol
Exact Mass288.05
IUPAC Name3-(4-methylphenyl)sulfonyl-3H-2-benzofuran-1-one
SMILESCc1ccc(S(=O)(=O)C2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C15H12O4S/c1-10-6-8-11(9-7-10)20(17,18)15-13-5-3-2-4-12(13)14(16)19-15/h2-9,15H,1H3
InChIKeyINCMPZRSLIDOGE-UHFFFAOYSA-N
XLogP2.64
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylphenyl)sulfonyl-3H-2-benzofuran-1-one 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 3-(4-methylphenyl)sulfonyl-3H-2-benzofuran-1-one?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-3H-2-benzofuran-1-one (CID 14761833) is 3-(4-methylphenyl)sulfonyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-3H-2-benzofuran-1-one is Cc1ccc(S(=O)(=O)C2OC(=O)c3ccccc32)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-3H-2-benzofuran-1-one?
The InChIKey is INCMPZRSLIDOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4S/c1-10-6-8-11(9-7-10)20(17,18)15-13-5-3-2-4-12(13)14(16)19-15/h2-9,15H,1H3.
What are the key properties of 3-(4-methylphenyl)sulfonyl-3H-2-benzofuran-1-one?
3-(4-methylphenyl)sulfonyl-3H-2-benzofuran-1-one has a molecular weight of 288.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 14761833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).