2-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]cyclopentan-1-one

C14H17ClO3S — CID 114792723

IUPAC2-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClO3S/c15-13-6-4-11(5-7-13)10-19(17,18)9-8-12-2-1-3-14(12)16/h4-7,12H,1-3,8-10H2
InChIKeyAUFOYGUHDSDCER-UHFFFAOYSA-N
MW300.81 g/mol
LogP3.01
Rot. Bonds5

About 2-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]cyclopentan-1-one

2-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]cyclopentan-1-one (PubChem CID 114792723) has the molecular formula C14H17ClO3S and a molecular weight of 300.81 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]cyclopentan-1-one
PubChem CID114792723
Molecular FormulaC14H17ClO3S
Molecular Weight300.81 g/mol
Exact Mass300.06
IUPAC Name2-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClO3S/c15-13-6-4-11(5-7-13)10-19(17,18)9-8-12-2-1-3-14(12)16/h4-7,12H,1-3,8-10H2
InChIKeyAUFOYGUHDSDCER-UHFFFAOYSA-N
XLogP3.01
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]cyclopentan-1-one (CID 114792723) is 2-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]cyclopentan-1-one is O=C1CCCC1CCS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]cyclopentan-1-one?
The InChIKey is AUFOYGUHDSDCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3S/c15-13-6-4-11(5-7-13)10-19(17,18)9-8-12-2-1-3-14(12)16/h4-7,12H,1-3,8-10H2.
What are the key properties of 2-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]cyclopentan-1-one?
2-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]cyclopentan-1-one has a molecular weight of 300.81 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]cyclopentan-1-one is sourced from PubChem (CID 114792723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).