2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone

C14H17ClO3S — CID 103291146

IUPAC2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone
SMILESO=C(CS(=O)(=O)Cc1ccccc1Cl)C1CCCC1
InChIInChI=1S/C14H17ClO3S/c15-13-8-4-3-7-12(13)9-19(17,18)10-14(16)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyVKVOLZWQBHVIKM-UHFFFAOYSA-N
MW300.81 g/mol
LogP3.01
Rot. Bonds5

About 2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone

2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone (PubChem CID 103291146) has the molecular formula C14H17ClO3S and a molecular weight of 300.81 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone
PubChem CID103291146
Molecular FormulaC14H17ClO3S
Molecular Weight300.81 g/mol
Exact Mass300.06
IUPAC Name2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone
SMILESO=C(CS(=O)(=O)Cc1ccccc1Cl)C1CCCC1
InChIInChI=1S/C14H17ClO3S/c15-13-8-4-3-7-12(13)9-19(17,18)10-14(16)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyVKVOLZWQBHVIKM-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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Related Compounds

2-benzylsulfonyl-1-cyclohexylethanone
CID 104756083
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone
CID 115736295
2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone
CID 103289117
N-(2-aminoethyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide
CID 103291290
2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone
CID 103291169
1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfonyl]ethanone
CID 104756338
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
1-chloro-2-(2-chloroethylsulfonylmethyl)benzene
CID 103288106
2-(3-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 82802271
N-[(2-chlorophenyl)methylsulfonyl]oxane-3-carboxamide
CID 102555038

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone (CID 103291146) is 2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone is O=C(CS(=O)(=O)Cc1ccccc1Cl)C1CCCC1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone?
The InChIKey is VKVOLZWQBHVIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3S/c15-13-8-4-3-7-12(13)9-19(17,18)10-14(16)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2.
What are the key properties of 2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone?
2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone 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-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone is sourced from PubChem (CID 103291146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).