1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone

C14H18O4S — CID 104756180

IUPAC1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone
SMILESCOc1ccccc1S(=O)(=O)CC(=O)C1CCCC1
InChIInChI=1S/C14H18O4S/c1-18-13-8-4-5-9-14(13)19(16,17)10-12(15)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3
InChIKeySZPZTEILMGBQLG-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.23
Rot. Bonds5

About 1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone

1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone (PubChem CID 104756180) has the molecular formula C14H18O4S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone
PubChem CID104756180
Molecular FormulaC14H18O4S
Molecular Weight282.36 g/mol
Exact Mass282.09
IUPAC Name1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone
SMILESCOc1ccccc1S(=O)(=O)CC(=O)C1CCCC1
InChIInChI=1S/C14H18O4S/c1-18-13-8-4-5-9-14(13)19(16,17)10-12(15)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3
InChIKeySZPZTEILMGBQLG-UHFFFAOYSA-N
XLogP2.23
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone?
The IUPAC name of 1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone (CID 104756180) is 1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone.
What is the SMILES notation for 1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone?
The canonical SMILES for 1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone is COc1ccccc1S(=O)(=O)CC(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone?
The InChIKey is SZPZTEILMGBQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4S/c1-18-13-8-4-5-9-14(13)19(16,17)10-12(15)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3.
What are the key properties of 1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone?
1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone has a molecular weight of 282.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone is sourced from PubChem (CID 104756180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).