1-(4-chlorophenyl)-2-methylsulfonylethanone

C9H9ClO3S — CID 2735795

IUPAC1-(4-chlorophenyl)-2-methylsulfonylethanone
SMILESCS(=O)(=O)CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO3S/c1-14(12,13)6-9(11)7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
InChIKeyLXWVEFAAYCFRPS-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.57
Rot. Bonds3

About 1-(4-chlorophenyl)-2-methylsulfonylethanone

1-(4-chlorophenyl)-2-methylsulfonylethanone (PubChem CID 2735795) has the molecular formula C9H9ClO3S and a molecular weight of 232.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methylsulfonylethanone
PubChem CID2735795
Molecular FormulaC9H9ClO3S
Molecular Weight232.69 g/mol
Exact Mass232.00
IUPAC Name1-(4-chlorophenyl)-2-methylsulfonylethanone
SMILESCS(=O)(=O)CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO3S/c1-14(12,13)6-9(11)7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
InChIKeyLXWVEFAAYCFRPS-UHFFFAOYSA-N
XLogP1.57
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(2-methylpropylsulfonyl)ethanone
CID 64642371
[2-(4-chlorophenyl)-2-oxoethyl] methanesulfonate
CID 71560088
2-(3-aminopropylsulfonyl)-1-(4-chlorophenyl)ethanone
CID 82180151
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11438271
(4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 18779913
(4-chlorophenyl)-oxomethanesulfonic acid
CID 175508257
1-(4-chlorophenyl)-3,3,3-trideuteriopropan-1-one
CID 87608045
1-(furan-3-yl)-2-methylsulfonylethanone
CID 115622052
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 43339023
4-[2-(4-chlorophenyl)-2-oxoethyl]sulfonylbenzonitrile
CID 53330652
2-amino-1-(4-chlorophenyl)-4-methylsulfonylbutan-1-one
CID 116551933
N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide
CID 9442397

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methylsulfonylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-methylsulfonylethanone (CID 2735795) is 1-(4-chlorophenyl)-2-methylsulfonylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methylsulfonylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-methylsulfonylethanone is CS(=O)(=O)CC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-methylsulfonylethanone?
The InChIKey is LXWVEFAAYCFRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3S/c1-14(12,13)6-9(11)7-2-4-8(10)5-3-7/h2-5H,6H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-methylsulfonylethanone?
1-(4-chlorophenyl)-2-methylsulfonylethanone has a molecular weight of 232.69 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methylsulfonylethanone is sourced from PubChem (CID 2735795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).