1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone

C14H8Cl4O2S — CID 115477694

IUPAC1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone
SMILESO=C(CS(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8Cl4O2S/c15-8-4-5-9(12(18)6-8)13(19)7-21(20)14-10(16)2-1-3-11(14)17/h1-6H,7H2
InChIKeyFUWIXCSLMBHTIY-UHFFFAOYSA-N
MW382.10 g/mol
LogP5.29
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone

1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone (PubChem CID 115477694) has the molecular formula C14H8Cl4O2S and a molecular weight of 382.10 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone
PubChem CID115477694
Molecular FormulaC14H8Cl4O2S
Molecular Weight382.10 g/mol
Exact Mass379.90
IUPAC Name1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone
SMILESO=C(CS(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8Cl4O2S/c15-8-4-5-9(12(18)6-8)13(19)7-21(20)14-10(16)2-1-3-11(14)17/h1-6H,7H2
InChIKeyFUWIXCSLMBHTIY-UHFFFAOYSA-N
XLogP5.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.10
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
CID 63492855
3-(2,4-dichlorophenyl)-3-oxopropanal
CID 10889333
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone
CID 64638298
1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639371
1-(2,5-dichlorophenyl)-2-methylsulfinylethanone
CID 64639765
1-(2,4-dichlorophenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 126060994
1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone
CID 63528200
1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 115736507
1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone
CID 22142437
2-(4-bromophenyl)sulfinyl-1-(2,5-dichlorophenyl)ethanone
CID 64641310
1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone
CID 55196773

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone (CID 115477694) is 1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone is O=C(CS(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone?
The InChIKey is FUWIXCSLMBHTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4O2S/c15-8-4-5-9(12(18)6-8)13(19)7-21(20)14-10(16)2-1-3-11(14)17/h1-6H,7H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone?
1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone has a molecular weight of 382.10 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone is sourced from PubChem (CID 115477694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).