2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone

C16H14Cl2O2S — CID 64635380

IUPAC2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CS(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H14Cl2O2S/c1-2-11-3-5-12(6-4-11)15(19)10-21(20)16-9-13(17)7-8-14(16)18/h3-9H,2,10H2,1H3
InChIKeyQTCSMRWZHDJOAJ-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.55
Rot. Bonds5

About 2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone

2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone (PubChem CID 64635380) has the molecular formula C16H14Cl2O2S and a molecular weight of 341.26 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone
PubChem CID64635380
Molecular FormulaC16H14Cl2O2S
Molecular Weight341.26 g/mol
Exact Mass340.01
IUPAC Name2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CS(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H14Cl2O2S/c1-2-11-3-5-12(6-4-11)15(19)10-21(20)16-9-13(17)7-8-14(16)18/h3-9H,2,10H2,1H3
InChIKeyQTCSMRWZHDJOAJ-UHFFFAOYSA-N
XLogP4.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone
CID 64640534
2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone
CID 64636306
2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone
CID 60623167
1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637447
1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone
CID 104756236
1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone
CID 63411862
3-[(2,5-dichlorophenyl)sulfinylmethyl]-4-fluorobenzoic acid
CID 107453506
2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone
CID 64638145
1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone
CID 64641141
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639568
1-(4-ethylphenyl)-4,4-dimethylpentan-1-one
CID 62621696
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone (CID 64635380) is 2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone is CCc1ccc(C(=O)CS(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone?
The InChIKey is QTCSMRWZHDJOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2S/c1-2-11-3-5-12(6-4-11)15(19)10-21(20)16-9-13(17)7-8-14(16)18/h3-9H,2,10H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone?
2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone has a molecular weight of 341.26 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone is sourced from PubChem (CID 64635380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).