2-(4-methylsulfonylphenyl)-3-phenylnaphthalene

C23H18O2S — CID 23356595

IUPAC2-(4-methylsulfonylphenyl)-3-phenylnaphthalene
SMILESCS(=O)(=O)c1ccc(-c2cc3ccccc3cc2-c2ccccc2)cc1
InChIInChI=1S/C23H18O2S/c1-26(24,25)21-13-11-18(12-14-21)23-16-20-10-6-5-9-19(20)15-22(23)17-7-3-2-4-8-17/h2-16H,1H3
InChIKeyFBDKUMTZJSNAKR-UHFFFAOYSA-N
MW358.46 g/mol
LogP5.58
Rot. Bonds3

About 2-(4-methylsulfonylphenyl)-3-phenylnaphthalene

2-(4-methylsulfonylphenyl)-3-phenylnaphthalene (PubChem CID 23356595) has the molecular formula C23H18O2S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-3-phenylnaphthalene.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-3-phenylnaphthalene
PubChem CID23356595
Molecular FormulaC23H18O2S
Molecular Weight358.46 g/mol
Exact Mass358.10
IUPAC Name2-(4-methylsulfonylphenyl)-3-phenylnaphthalene
SMILESCS(=O)(=O)c1ccc(-c2cc3ccccc3cc2-c2ccccc2)cc1
InChIInChI=1S/C23H18O2S/c1-26(24,25)21-13-11-18(12-14-21)23-16-20-10-6-5-9-19(20)15-22(23)17-7-3-2-4-8-17/h2-16H,1H3
InChIKeyFBDKUMTZJSNAKR-UHFFFAOYSA-N
XLogP5.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylsulfonylphenyl)-3-phenylnaphthalene 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-methylsulfonylphenyl)-3-phenylnaphthalene?
The IUPAC name of 2-(4-methylsulfonylphenyl)-3-phenylnaphthalene (CID 23356595) is 2-(4-methylsulfonylphenyl)-3-phenylnaphthalene.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-3-phenylnaphthalene?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-3-phenylnaphthalene is CS(=O)(=O)c1ccc(-c2cc3ccccc3cc2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-3-phenylnaphthalene?
The InChIKey is FBDKUMTZJSNAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O2S/c1-26(24,25)21-13-11-18(12-14-21)23-16-20-10-6-5-9-19(20)15-22(23)17-7-3-2-4-8-17/h2-16H,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-3-phenylnaphthalene?
2-(4-methylsulfonylphenyl)-3-phenylnaphthalene has a molecular weight of 358.46 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-3-phenylnaphthalene is sourced from PubChem (CID 23356595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).