1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone

C15H12Cl2O2S — CID 64639371

IUPAC1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone
SMILESCc1cccc(S(=O)CC(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H12Cl2O2S/c1-10-3-2-4-12(7-10)20(19)9-15(18)13-8-11(16)5-6-14(13)17/h2-8H,9H2,1H3
InChIKeyNEPPLVNPHHCXLB-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.29
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone

1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone (PubChem CID 64639371) has the molecular formula C15H12Cl2O2S and a molecular weight of 327.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone
PubChem CID64639371
Molecular FormulaC15H12Cl2O2S
Molecular Weight327.23 g/mol
Exact Mass325.99
IUPAC Name1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone
SMILESCc1cccc(S(=O)CC(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H12Cl2O2S/c1-10-3-2-4-12(7-10)20(19)9-15(18)13-8-11(16)5-6-14(13)17/h2-8H,9H2,1H3
InChIKeyNEPPLVNPHHCXLB-UHFFFAOYSA-N
XLogP4.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639568
1-(2,5-dichlorophenyl)-2-methylsulfinylethanone
CID 64639765
2-(3-methylphenyl)sulfinyl-1-phenylethanone
CID 64639967
2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone
CID 64638145
2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64637762
2-(4-bromophenyl)sulfinyl-1-(2,5-dichlorophenyl)ethanone
CID 64641310
2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone
CID 64635334
2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone
CID 64638502
1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792475
1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone
CID 64641141
1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone
CID 64638298
1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone
CID 115477694

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone (CID 64639371) is 1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone is Cc1cccc(S(=O)CC(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone?
The InChIKey is NEPPLVNPHHCXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2S/c1-10-3-2-4-12(7-10)20(19)9-15(18)13-8-11(16)5-6-14(13)17/h2-8H,9H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone?
1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone has a molecular weight of 327.23 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone is sourced from PubChem (CID 64639371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).