1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one

C10H11ClO3S — CID 114963310

IUPAC1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one
SMILESCC(C(=O)c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C10H11ClO3S/c1-7(15(2,13)14)10(12)8-5-3-4-6-9(8)11/h3-7H,1-2H3
InChIKeyQZOYIMATPHZPAE-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.96
Rot. Bonds3

About 1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one

1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one (PubChem CID 114963310) has the molecular formula C10H11ClO3S and a molecular weight of 246.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one
PubChem CID114963310
Molecular FormulaC10H11ClO3S
Molecular Weight246.72 g/mol
Exact Mass246.01
IUPAC Name1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one
SMILESCC(C(=O)c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C10H11ClO3S/c1-7(15(2,13)14)10(12)8-5-3-4-6-9(8)11/h3-7H,1-2H3
InChIKeyQZOYIMATPHZPAE-UHFFFAOYSA-N
XLogP1.96
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-2-hydroxypropan-1-one
CID 11830112
2-chloro-1-(2-chlorophenyl)propan-1-one
CID 12808115
1-isoquinolin-5-yl-2-methylsulfonylpropan-1-one
CID 114970914
1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-one
CID 114939084
(2S)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide
CID 95335623
(2R)-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methyl-2-methylsulfonylpropanamide
CID 95335621
1-(2-chlorophenyl)-2-methyl-5-phenylpentane-1,3,5-trione
CID 19847705
1-(3-chloro-2-fluorophenyl)-3-methylsulfonylbutan-2-one
CID 102865647
1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one
CID 116565139
1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 102134587
2-(2-chloro-6-fluorophenyl)-4-methylsulfonyl-3-oxopentanenitrile
CID 113422114
1,3-dimethyl-5-(2-methylsulfonylpropanoyl)pyrimidine-2,4-dione
CID 104518019

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one?
The IUPAC name of 1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one (CID 114963310) is 1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one?
The canonical SMILES for 1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one is CC(C(=O)c1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of 1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one?
The InChIKey is QZOYIMATPHZPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3S/c1-7(15(2,13)14)10(12)8-5-3-4-6-9(8)11/h3-7H,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one?
1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one has a molecular weight of 246.72 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one is sourced from PubChem (CID 114963310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).