1-ethylsulfonyl-2-phenylbenzene

C14H14O2S — CID 58553001

IUPAC1-ethylsulfonyl-2-phenylbenzene
SMILESCCS(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C14H14O2S/c1-2-17(15,16)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyZQZKMFDSDLTMHN-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.15
Rot. Bonds3

About 1-ethylsulfonyl-2-phenylbenzene

1-ethylsulfonyl-2-phenylbenzene (PubChem CID 58553001) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-ethylsulfonyl-2-phenylbenzene.

Molecular Properties

Compound Name1-ethylsulfonyl-2-phenylbenzene
PubChem CID58553001
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name1-ethylsulfonyl-2-phenylbenzene
SMILESCCS(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C14H14O2S/c1-2-17(15,16)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyZQZKMFDSDLTMHN-UHFFFAOYSA-N
XLogP3.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-2-phenylbenzene?
The IUPAC name of 1-ethylsulfonyl-2-phenylbenzene (CID 58553001) is 1-ethylsulfonyl-2-phenylbenzene.
What is the SMILES notation for 1-ethylsulfonyl-2-phenylbenzene?
The canonical SMILES for 1-ethylsulfonyl-2-phenylbenzene is CCS(=O)(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-ethylsulfonyl-2-phenylbenzene?
The InChIKey is ZQZKMFDSDLTMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-2-17(15,16)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11H,2H2,1H3.
What are the key properties of 1-ethylsulfonyl-2-phenylbenzene?
1-ethylsulfonyl-2-phenylbenzene has a molecular weight of 246.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-2-phenylbenzene is sourced from PubChem (CID 58553001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).