2-naphthalen-2-ylsulfonyl-1-phenylethanone

C18H14O3S — CID 3092020

IUPAC2-naphthalen-2-ylsulfonyl-1-phenylethanone
SMILESO=C(CS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C18H14O3S/c19-18(15-7-2-1-3-8-15)13-22(20,21)17-11-10-14-6-4-5-9-16(14)12-17/h1-12H,13H2
InChIKeyUCGUZSGKZMLFDR-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.50
Rot. Bonds4

About 2-naphthalen-2-ylsulfonyl-1-phenylethanone

2-naphthalen-2-ylsulfonyl-1-phenylethanone (PubChem CID 3092020) has the molecular formula C18H14O3S and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfonyl-1-phenylethanone.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfonyl-1-phenylethanone
PubChem CID3092020
Molecular FormulaC18H14O3S
Molecular Weight310.37 g/mol
Exact Mass310.07
IUPAC Name2-naphthalen-2-ylsulfonyl-1-phenylethanone
SMILESO=C(CS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C18H14O3S/c19-18(15-7-2-1-3-8-15)13-22(20,21)17-11-10-14-6-4-5-9-16(14)12-17/h1-12H,13H2
InChIKeyUCGUZSGKZMLFDR-UHFFFAOYSA-N
XLogP3.50
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-naphthalen-2-ylsulfonyl-1-phenylethanone 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-naphthalen-2-ylsulfonyl-1-phenylethanone?
The IUPAC name of 2-naphthalen-2-ylsulfonyl-1-phenylethanone (CID 3092020) is 2-naphthalen-2-ylsulfonyl-1-phenylethanone.
What is the SMILES notation for 2-naphthalen-2-ylsulfonyl-1-phenylethanone?
The canonical SMILES for 2-naphthalen-2-ylsulfonyl-1-phenylethanone is O=C(CS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 2-naphthalen-2-ylsulfonyl-1-phenylethanone?
The InChIKey is UCGUZSGKZMLFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3S/c19-18(15-7-2-1-3-8-15)13-22(20,21)17-11-10-14-6-4-5-9-16(14)12-17/h1-12H,13H2.
What are the key properties of 2-naphthalen-2-ylsulfonyl-1-phenylethanone?
2-naphthalen-2-ylsulfonyl-1-phenylethanone has a molecular weight of 310.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfonyl-1-phenylethanone is sourced from PubChem (CID 3092020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).