2-(benzenesulfonyl)ethylbenzene

C14H14O2S — CID 2832910

IUPAC2-(benzenesulfonyl)ethylbenzene
SMILESO=S(=O)(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H14O2S/c15-17(16,14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyRLTJPCSAOFZFJF-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.70
Rot. Bonds4

About 2-(benzenesulfonyl)ethylbenzene

2-(benzenesulfonyl)ethylbenzene (PubChem CID 2832910) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(benzenesulfonyl)ethylbenzene.

Molecular Properties

Compound Name2-(benzenesulfonyl)ethylbenzene
PubChem CID2832910
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name2-(benzenesulfonyl)ethylbenzene
SMILESO=S(=O)(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H14O2S/c15-17(16,14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyRLTJPCSAOFZFJF-UHFFFAOYSA-N
XLogP2.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)ethylbenzene?
The IUPAC name of 2-(benzenesulfonyl)ethylbenzene (CID 2832910) is 2-(benzenesulfonyl)ethylbenzene.
What is the SMILES notation for 2-(benzenesulfonyl)ethylbenzene?
The canonical SMILES for 2-(benzenesulfonyl)ethylbenzene is O=S(=O)(CCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)ethylbenzene?
The InChIKey is RLTJPCSAOFZFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c15-17(16,14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2.
What are the key properties of 2-(benzenesulfonyl)ethylbenzene?
2-(benzenesulfonyl)ethylbenzene has a molecular weight of 246.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)ethylbenzene is sourced from PubChem (CID 2832910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).