(2-methylcyclopentyl)sulfonylbenzene

C12H16O2S — CID 14669547

IUPAC(2-methylcyclopentyl)sulfonylbenzene
SMILESCC1CCCC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H16O2S/c1-10-6-5-9-12(10)15(13,14)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3
InChIKeyAVHFOYNUUPLEDH-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.65
Rot. Bonds2

About (2-methylcyclopentyl)sulfonylbenzene

(2-methylcyclopentyl)sulfonylbenzene (PubChem CID 14669547) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is (2-methylcyclopentyl)sulfonylbenzene.

Molecular Properties

Compound Name(2-methylcyclopentyl)sulfonylbenzene
PubChem CID14669547
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name(2-methylcyclopentyl)sulfonylbenzene
SMILESCC1CCCC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H16O2S/c1-10-6-5-9-12(10)15(13,14)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3
InChIKeyAVHFOYNUUPLEDH-UHFFFAOYSA-N
XLogP2.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopentyl)sulfonylbenzene?
The IUPAC name of (2-methylcyclopentyl)sulfonylbenzene (CID 14669547) is (2-methylcyclopentyl)sulfonylbenzene.
What is the SMILES notation for (2-methylcyclopentyl)sulfonylbenzene?
The canonical SMILES for (2-methylcyclopentyl)sulfonylbenzene is CC1CCCC1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2-methylcyclopentyl)sulfonylbenzene?
The InChIKey is AVHFOYNUUPLEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-10-6-5-9-12(10)15(13,14)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3.
What are the key properties of (2-methylcyclopentyl)sulfonylbenzene?
(2-methylcyclopentyl)sulfonylbenzene has a molecular weight of 224.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopentyl)sulfonylbenzene is sourced from PubChem (CID 14669547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).