1-cyclopentyl-2-ethylsulfonylbenzene

C13H18O2S — CID 57003369

IUPAC1-cyclopentyl-2-ethylsulfonylbenzene
SMILESCCS(=O)(=O)c1ccccc1C1CCCC1
InChIInChI=1S/C13H18O2S/c1-2-16(14,15)13-10-6-5-9-12(13)11-7-3-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyCCSKESOGTHFSTN-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.14
Rot. Bonds3

About 1-cyclopentyl-2-ethylsulfonylbenzene

1-cyclopentyl-2-ethylsulfonylbenzene (PubChem CID 57003369) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-cyclopentyl-2-ethylsulfonylbenzene.

Molecular Properties

Compound Name1-cyclopentyl-2-ethylsulfonylbenzene
PubChem CID57003369
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name1-cyclopentyl-2-ethylsulfonylbenzene
SMILESCCS(=O)(=O)c1ccccc1C1CCCC1
InChIInChI=1S/C13H18O2S/c1-2-16(14,15)13-10-6-5-9-12(13)11-7-3-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyCCSKESOGTHFSTN-UHFFFAOYSA-N
XLogP3.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-ethylsulfonylbenzene?
The IUPAC name of 1-cyclopentyl-2-ethylsulfonylbenzene (CID 57003369) is 1-cyclopentyl-2-ethylsulfonylbenzene.
What is the SMILES notation for 1-cyclopentyl-2-ethylsulfonylbenzene?
The canonical SMILES for 1-cyclopentyl-2-ethylsulfonylbenzene is CCS(=O)(=O)c1ccccc1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-ethylsulfonylbenzene?
The InChIKey is CCSKESOGTHFSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-2-16(14,15)13-10-6-5-9-12(13)11-7-3-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of 1-cyclopentyl-2-ethylsulfonylbenzene?
1-cyclopentyl-2-ethylsulfonylbenzene has a molecular weight of 238.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-ethylsulfonylbenzene is sourced from PubChem (CID 57003369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).