(1-chlorocyclopentyl)sulfonylbenzene

C11H13ClO2S — CID 57242234

IUPAC(1-chlorocyclopentyl)sulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C1(Cl)CCCC1
InChIInChI=1S/C11H13ClO2S/c12-11(8-4-5-9-11)15(13,14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyXGNYTAPMNQXKEX-UHFFFAOYSA-N
MW244.74 g/mol
LogP2.97
Rot. Bonds2

About (1-chlorocyclopentyl)sulfonylbenzene

(1-chlorocyclopentyl)sulfonylbenzene (PubChem CID 57242234) has the molecular formula C11H13ClO2S and a molecular weight of 244.74 g/mol. Its IUPAC name is (1-chlorocyclopentyl)sulfonylbenzene.

Molecular Properties

Compound Name(1-chlorocyclopentyl)sulfonylbenzene
PubChem CID57242234
Molecular FormulaC11H13ClO2S
Molecular Weight244.74 g/mol
Exact Mass244.03
IUPAC Name(1-chlorocyclopentyl)sulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C1(Cl)CCCC1
InChIInChI=1S/C11H13ClO2S/c12-11(8-4-5-9-11)15(13,14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyXGNYTAPMNQXKEX-UHFFFAOYSA-N
XLogP2.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-chlorocyclopentyl)sulfonylbenzene?
The IUPAC name of (1-chlorocyclopentyl)sulfonylbenzene (CID 57242234) is (1-chlorocyclopentyl)sulfonylbenzene.
What is the SMILES notation for (1-chlorocyclopentyl)sulfonylbenzene?
The canonical SMILES for (1-chlorocyclopentyl)sulfonylbenzene is O=S(=O)(c1ccccc1)C1(Cl)CCCC1.
What is the InChIKey of (1-chlorocyclopentyl)sulfonylbenzene?
The InChIKey is XGNYTAPMNQXKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2S/c12-11(8-4-5-9-11)15(13,14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2.
What are the key properties of (1-chlorocyclopentyl)sulfonylbenzene?
(1-chlorocyclopentyl)sulfonylbenzene has a molecular weight of 244.74 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chlorocyclopentyl)sulfonylbenzene is sourced from PubChem (CID 57242234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).