(Cyclopentanesulfonyl)benzene

HCID 345620

Notes Reactions

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Basic information

CAS: 14633-46-6
Standard SMILES: O=S(=O)(c1ccccc1)C1CCCC1
InChIKey: DZWZKYPGAIYJAU-UHFFFAOYSA-N
Molecular formula: C11H14O2S
Average molar mass: 210.29 g/mol
Monoisotopic mass: 210.07145086

Names & identifiers

Preferred name: (Cyclopentanesulfonyl)benzene
IUPAC: cyclopentylsulfonylbenzene

Names & synonyms

(Cyclopentanesulfonyl)benzene14633-46-6DTXSID30323198RefChem:210311DTXCID70274317NSC403330cyclopentyl phenyl sulfone(cyclopentylsulfonyl)benzeneSCHEMBL777971SCHEMBL10596022SCHEMBL18446130DZWZKYPGAIYJAU-UHFFFAOYSA-N

Show more names

NSC-403330

Database identifiers

CAS: 14633-46-6
PubChem CID: 345620
DTXSID: DTXSID30323198
Nikkaji: J2.527.058D

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 264

Related reactions

2 records

New reaction record

HRID 677145As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1605127As reactantuspto-grants-1976_04

Compound notes

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