N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfinyl]acetamide

C15H13Cl2NO2S — CID 3825971

IUPACN-(2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfinyl]acetamide
SMILESO=C(CS(=O)Cc1ccccc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C15H13Cl2NO2S/c16-12-6-2-1-5-11(12)9-21(20)10-15(19)18-14-8-4-3-7-13(14)17/h1-8H,9-10H2,(H,18,19)
InChIKeyZLXCGWMSHRPMNL-UHFFFAOYSA-N
MW342.25 g/mol
LogP3.88
Rot. Bonds5

About N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfinyl]acetamide

N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfinyl]acetamide (PubChem CID 3825971) has the molecular formula C15H13Cl2NO2S and a molecular weight of 342.25 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfinyl]acetamide
PubChem CID3825971
Molecular FormulaC15H13Cl2NO2S
Molecular Weight342.25 g/mol
Exact Mass341.00
IUPAC NameN-(2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfinyl]acetamide
SMILESO=C(CS(=O)Cc1ccccc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C15H13Cl2NO2S/c16-12-6-2-1-5-11(12)9-21(20)10-15(19)18-14-8-4-3-7-13(14)17/h1-8H,9-10H2,(H,18,19)
InChIKeyZLXCGWMSHRPMNL-UHFFFAOYSA-N
XLogP3.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfinyl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfinyl]acetamide (CID 3825971) is N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfinyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfinyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfinyl]acetamide is O=C(CS(=O)Cc1ccccc1Cl)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfinyl]acetamide?
The InChIKey is ZLXCGWMSHRPMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2S/c16-12-6-2-1-5-11(12)9-21(20)10-15(19)18-14-8-4-3-7-13(14)17/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfinyl]acetamide?
N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfinyl]acetamide has a molecular weight of 342.25 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfinyl]acetamide is sourced from PubChem (CID 3825971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).