cyclopenten-1-ylsulfonylbenzene

C11H12O2S — CID 580522

IUPACcyclopenten-1-ylsulfonylbenzene
SMILESO=S(=O)(C1=CCCC1)c1ccccc1
InChIInChI=1S/C11H12O2S/c12-14(13,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-8H,4-5,9H2
InChIKeyARNVQXOIPFIQMR-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.53
Rot. Bonds2

About cyclopenten-1-ylsulfonylbenzene

cyclopenten-1-ylsulfonylbenzene (PubChem CID 580522) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is cyclopenten-1-ylsulfonylbenzene.

Molecular Properties

Compound Namecyclopenten-1-ylsulfonylbenzene
PubChem CID580522
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Namecyclopenten-1-ylsulfonylbenzene
SMILESO=S(=O)(C1=CCCC1)c1ccccc1
InChIInChI=1S/C11H12O2S/c12-14(13,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-8H,4-5,9H2
InChIKeyARNVQXOIPFIQMR-UHFFFAOYSA-N
XLogP2.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-ylsulfonylbenzene?
The IUPAC name of cyclopenten-1-ylsulfonylbenzene (CID 580522) is cyclopenten-1-ylsulfonylbenzene.
What is the SMILES notation for cyclopenten-1-ylsulfonylbenzene?
The canonical SMILES for cyclopenten-1-ylsulfonylbenzene is O=S(=O)(C1=CCCC1)c1ccccc1.
What is the InChIKey of cyclopenten-1-ylsulfonylbenzene?
The InChIKey is ARNVQXOIPFIQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c12-14(13,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-8H,4-5,9H2.
What are the key properties of cyclopenten-1-ylsulfonylbenzene?
cyclopenten-1-ylsulfonylbenzene has a molecular weight of 208.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-ylsulfonylbenzene is sourced from PubChem (CID 580522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).