(1-ethylcyclopropyl)sulfonylbenzene

C11H14O2S — CID 70894852

IUPAC(1-ethylcyclopropyl)sulfonylbenzene
SMILESCCC1(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C11H14O2S/c1-2-11(8-9-11)14(12,13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyQJCKETGHIKRWGO-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.40
Rot. Bonds3

About (1-ethylcyclopropyl)sulfonylbenzene

(1-ethylcyclopropyl)sulfonylbenzene (PubChem CID 70894852) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is (1-ethylcyclopropyl)sulfonylbenzene.

Molecular Properties

Compound Name(1-ethylcyclopropyl)sulfonylbenzene
PubChem CID70894852
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name(1-ethylcyclopropyl)sulfonylbenzene
SMILESCCC1(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C11H14O2S/c1-2-11(8-9-11)14(12,13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyQJCKETGHIKRWGO-UHFFFAOYSA-N
XLogP2.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopropyl)sulfonylbenzene?
The IUPAC name of (1-ethylcyclopropyl)sulfonylbenzene (CID 70894852) is (1-ethylcyclopropyl)sulfonylbenzene.
What is the SMILES notation for (1-ethylcyclopropyl)sulfonylbenzene?
The canonical SMILES for (1-ethylcyclopropyl)sulfonylbenzene is CCC1(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of (1-ethylcyclopropyl)sulfonylbenzene?
The InChIKey is QJCKETGHIKRWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-2-11(8-9-11)14(12,13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of (1-ethylcyclopropyl)sulfonylbenzene?
(1-ethylcyclopropyl)sulfonylbenzene has a molecular weight of 210.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopropyl)sulfonylbenzene is sourced from PubChem (CID 70894852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).