(2-methylsulfonyl-1-phenylethyl)benzene

C15H16O2S — CID 23546848

IUPAC(2-methylsulfonyl-1-phenylethyl)benzene
SMILESCS(=O)(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16O2S/c1-18(16,17)12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyWCRLRAPYFSKKSL-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.86
Rot. Bonds4

About (2-methylsulfonyl-1-phenylethyl)benzene

(2-methylsulfonyl-1-phenylethyl)benzene (PubChem CID 23546848) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is (2-methylsulfonyl-1-phenylethyl)benzene.

Molecular Properties

Compound Name(2-methylsulfonyl-1-phenylethyl)benzene
PubChem CID23546848
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name(2-methylsulfonyl-1-phenylethyl)benzene
SMILESCS(=O)(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16O2S/c1-18(16,17)12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyWCRLRAPYFSKKSL-UHFFFAOYSA-N
XLogP2.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diphenylethanesulfonamide
CID 68954742
N-benzhydryl-1-methylsulfonylpropan-2-amine
CID 64629502
methyl 3-methylsulfonyl-2-phenylpropanoate
CID 64560571
(2-butylsulfonyl-1-phenylethyl)benzene
CID 58218103
2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine
CID 75443631
3-(2,2-diphenylethylsulfonyl)propan-1-ol
CID 58218199
2-(4-methylsulfonylphenyl)-2-phenylethanol
CID 67638441
(2S)-2-phenylpropane-1-sulfonyl chloride
CID 98112212
2-phenylpropane-1-sulfonic acid
CID 18989058
1,2-diphenylethane-1,2-diol;methanesulfonic acid
CID 57363902
1-methylsulfonyl-4-phenylbutan-2-amine
CID 115601043
4-methylsulfonyl-2-phenylbutanoic acid
CID 65429649

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfonyl-1-phenylethyl)benzene?
The IUPAC name of (2-methylsulfonyl-1-phenylethyl)benzene (CID 23546848) is (2-methylsulfonyl-1-phenylethyl)benzene.
What is the SMILES notation for (2-methylsulfonyl-1-phenylethyl)benzene?
The canonical SMILES for (2-methylsulfonyl-1-phenylethyl)benzene is CS(=O)(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-methylsulfonyl-1-phenylethyl)benzene?
The InChIKey is WCRLRAPYFSKKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-18(16,17)12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3.
What are the key properties of (2-methylsulfonyl-1-phenylethyl)benzene?
(2-methylsulfonyl-1-phenylethyl)benzene has a molecular weight of 260.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfonyl-1-phenylethyl)benzene is sourced from PubChem (CID 23546848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).