1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone

C14H16Cl2O2S — CID 104756236

IUPAC1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone
SMILESO=C(CS(=O)c1cc(Cl)ccc1Cl)C1CCCCC1
InChIInChI=1S/C14H16Cl2O2S/c15-11-6-7-12(16)14(8-11)19(18)9-13(17)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyCKDAXEPUFGXKHP-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.25
Rot. Bonds4

About 1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone

1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone (PubChem CID 104756236) has the molecular formula C14H16Cl2O2S and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone
PubChem CID104756236
Molecular FormulaC14H16Cl2O2S
Molecular Weight319.25 g/mol
Exact Mass318.02
IUPAC Name1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone
SMILESO=C(CS(=O)c1cc(Cl)ccc1Cl)C1CCCCC1
InChIInChI=1S/C14H16Cl2O2S/c15-11-6-7-12(16)14(8-11)19(18)9-13(17)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyCKDAXEPUFGXKHP-UHFFFAOYSA-N
XLogP4.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 103047938
1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone
CID 104756239
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone
CID 65321510
1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone
CID 113449628
2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 114853673
2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone
CID 103291169
1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone
CID 113220137
2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone
CID 64635380
2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone
CID 64636306
2-(4-chlorophenyl)-1-cycloheptylethanone
CID 62588703
2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone
CID 103039315
1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone
CID 113449619

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone?
The IUPAC name of 1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone (CID 104756236) is 1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone.
What is the SMILES notation for 1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone?
The canonical SMILES for 1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone is O=C(CS(=O)c1cc(Cl)ccc1Cl)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone?
The InChIKey is CKDAXEPUFGXKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O2S/c15-11-6-7-12(16)14(8-11)19(18)9-13(17)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2.
What are the key properties of 1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone?
1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone has a molecular weight of 319.25 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone is sourced from PubChem (CID 104756236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).