1-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanone

C16H15ClO3S — CID 64636762

IUPAC1-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanone
SMILESCc1cccc(CS(=O)(=O)CC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClO3S/c1-12-5-4-6-13(9-12)10-21(19,20)11-16(18)14-7-2-3-8-15(14)17/h2-9H,10-11H2,1H3
InChIKeySBVGNNIIFPWSML-UHFFFAOYSA-N
MW322.81 g/mol
LogP3.45
Rot. Bonds5

About 1-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanone

1-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanone (PubChem CID 64636762) has the molecular formula C16H15ClO3S and a molecular weight of 322.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanone
PubChem CID64636762
Molecular FormulaC16H15ClO3S
Molecular Weight322.81 g/mol
Exact Mass322.04
IUPAC Name1-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanone
SMILESCc1cccc(CS(=O)(=O)CC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClO3S/c1-12-5-4-6-13(9-12)10-21(19,20)11-16(18)14-7-2-3-8-15(14)17/h2-9H,10-11H2,1H3
InChIKeySBVGNNIIFPWSML-UHFFFAOYSA-N
XLogP3.45
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone
CID 106861502
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone
CID 974035
ethyl 4-[(3-methylphenyl)methylsulfonyl]-3-oxobutanoate
CID 64636954
1-(2-chlorophenyl)-2-(3-methylbutylsulfonyl)ethanone
CID 107767968
N-butyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
CID 86923016
1-[5-chloro-1-(3,3,3-trifluoropropyl)imidazol-4-yl]-2-[(3-methylphenyl)methylsulfonyl]ethanone
CID 159240781
2-[(3-methylphenyl)methylsulfonyl]acetaldehyde
CID 66221981
2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide
CID 7731405
N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
CID 78852248
1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one
CID 105081455
2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide
CID 47162178
5-[(3-methylphenyl)methylsulfonylmethyl]thiophene-2-carboxylic acid
CID 63378225

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanone (CID 64636762) is 1-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanone is Cc1cccc(CS(=O)(=O)CC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanone?
The InChIKey is SBVGNNIIFPWSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3S/c1-12-5-4-6-13(9-12)10-21(19,20)11-16(18)14-7-2-3-8-15(14)17/h2-9H,10-11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanone?
1-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanone has a molecular weight of 322.81 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanone is sourced from PubChem (CID 64636762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).