1-(2,4-dichlorophenyl)-2-(4-methylphenyl)sulfonylethanone

C15H12Cl2O3S — CID 2992891

IUPAC1-(2,4-dichlorophenyl)-2-(4-methylphenyl)sulfonylethanone
SMILESCc1ccc(S(=O)(=O)CC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2O3S/c1-10-2-5-12(6-3-10)21(19,20)9-15(18)13-7-4-11(16)8-14(13)17/h2-8H,9H2,1H3
InChIKeyOFJUBRPECYWURM-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.96
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)sulfonylethanone

1-(2,4-dichlorophenyl)-2-(4-methylphenyl)sulfonylethanone (PubChem CID 2992891) has the molecular formula C15H12Cl2O3S and a molecular weight of 343.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)sulfonylethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(4-methylphenyl)sulfonylethanone
PubChem CID2992891
Molecular FormulaC15H12Cl2O3S
Molecular Weight343.23 g/mol
Exact Mass341.99
IUPAC Name1-(2,4-dichlorophenyl)-2-(4-methylphenyl)sulfonylethanone
SMILESCc1ccc(S(=O)(=O)CC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2O3S/c1-10-2-5-12(6-3-10)21(19,20)9-15(18)13-7-4-11(16)8-14(13)17/h2-8H,9H2,1H3
InChIKeyOFJUBRPECYWURM-UHFFFAOYSA-N
XLogP3.96
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)sulfonylethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)sulfonylethanone (CID 2992891) is 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)sulfonylethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)sulfonylethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)sulfonylethanone is Cc1ccc(S(=O)(=O)CC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)sulfonylethanone?
The InChIKey is OFJUBRPECYWURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3S/c1-10-2-5-12(6-3-10)21(19,20)9-15(18)13-7-4-11(16)8-14(13)17/h2-8H,9H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)sulfonylethanone?
1-(2,4-dichlorophenyl)-2-(4-methylphenyl)sulfonylethanone has a molecular weight of 343.23 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)sulfonylethanone is sourced from PubChem (CID 2992891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).