2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol

C15H15ClO3S2 — CID 110885157

IUPAC2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClO3S2/c1-21(18,19)14-8-2-11(3-9-14)15(17)10-20-13-6-4-12(16)5-7-13/h2-9,15,17H,10H2,1H3
InChIKeyIPZPNFYDBBYPSK-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.57
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol

2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 110885157) has the molecular formula C15H15ClO3S2 and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol
PubChem CID110885157
Molecular FormulaC15H15ClO3S2
Molecular Weight342.87 g/mol
Exact Mass342.02
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClO3S2/c1-21(18,19)14-8-2-11(3-9-14)15(17)10-20-13-6-4-12(16)5-7-13/h2-9,15,17H,10H2,1H3
InChIKeyIPZPNFYDBBYPSK-UHFFFAOYSA-N
XLogP3.57
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol (CID 110885157) is 2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol is CS(=O)(=O)c1ccc(C(O)CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is IPZPNFYDBBYPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3S2/c1-21(18,19)14-8-2-11(3-9-14)15(17)10-20-13-6-4-12(16)5-7-13/h2-9,15,17H,10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol?
2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol has a molecular weight of 342.87 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 110885157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).