1-(benzenesulfonyl)bicyclo[2.1.0]pentane

C11H12O2S — CID 15737679

IUPAC1-(benzenesulfonyl)bicyclo[2.1.0]pentane
SMILESO=S(=O)(c1ccccc1)C12CCC1C2
InChIInChI=1S/C11H12O2S/c12-14(13,10-4-2-1-3-5-10)11-7-6-9(11)8-11/h1-5,9H,6-8H2
InChIKeyYUMMIQJYWKOEDT-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.01
Rot. Bonds2

About 1-(benzenesulfonyl)bicyclo[2.1.0]pentane

1-(benzenesulfonyl)bicyclo[2.1.0]pentane (PubChem CID 15737679) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(benzenesulfonyl)bicyclo[2.1.0]pentane.

Molecular Properties

Compound Name1-(benzenesulfonyl)bicyclo[2.1.0]pentane
PubChem CID15737679
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name1-(benzenesulfonyl)bicyclo[2.1.0]pentane
SMILESO=S(=O)(c1ccccc1)C12CCC1C2
InChIInChI=1S/C11H12O2S/c12-14(13,10-4-2-1-3-5-10)11-7-6-9(11)8-11/h1-5,9H,6-8H2
InChIKeyYUMMIQJYWKOEDT-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)bicyclo[2.1.0]pentane?
The IUPAC name of 1-(benzenesulfonyl)bicyclo[2.1.0]pentane (CID 15737679) is 1-(benzenesulfonyl)bicyclo[2.1.0]pentane.
What is the SMILES notation for 1-(benzenesulfonyl)bicyclo[2.1.0]pentane?
The canonical SMILES for 1-(benzenesulfonyl)bicyclo[2.1.0]pentane is O=S(=O)(c1ccccc1)C12CCC1C2.
What is the InChIKey of 1-(benzenesulfonyl)bicyclo[2.1.0]pentane?
The InChIKey is YUMMIQJYWKOEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c12-14(13,10-4-2-1-3-5-10)11-7-6-9(11)8-11/h1-5,9H,6-8H2.
What are the key properties of 1-(benzenesulfonyl)bicyclo[2.1.0]pentane?
1-(benzenesulfonyl)bicyclo[2.1.0]pentane has a molecular weight of 208.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)bicyclo[2.1.0]pentane is sourced from PubChem (CID 15737679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).