2-[bis(4-chlorophenyl)methylsulfinyl]-N-methylacetamide

C16H15Cl2NO2S — CID 53324069

IUPAC2-[bis(4-chlorophenyl)methylsulfinyl]-N-methylacetamide
SMILESCNC(=O)CS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO2S/c1-19-15(20)10-22(21)16(11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9,16H,10H2,1H3,(H,19,20)
InChIKeyHYCJMYSQXYRGGS-UHFFFAOYSA-N
MW356.27 g/mol
LogP3.58
Rot. Bonds5

About 2-[bis(4-chlorophenyl)methylsulfinyl]-N-methylacetamide

2-[bis(4-chlorophenyl)methylsulfinyl]-N-methylacetamide (PubChem CID 53324069) has the molecular formula C16H15Cl2NO2S and a molecular weight of 356.27 g/mol. Its IUPAC name is 2-[bis(4-chlorophenyl)methylsulfinyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[bis(4-chlorophenyl)methylsulfinyl]-N-methylacetamide
PubChem CID53324069
Molecular FormulaC16H15Cl2NO2S
Molecular Weight356.27 g/mol
Exact Mass355.02
IUPAC Name2-[bis(4-chlorophenyl)methylsulfinyl]-N-methylacetamide
SMILESCNC(=O)CS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO2S/c1-19-15(20)10-22(21)16(11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9,16H,10H2,1H3,(H,19,20)
InChIKeyHYCJMYSQXYRGGS-UHFFFAOYSA-N
XLogP3.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-chlorophenyl)methylsulfinyl]-N-methylacetamide?
The IUPAC name of 2-[bis(4-chlorophenyl)methylsulfinyl]-N-methylacetamide (CID 53324069) is 2-[bis(4-chlorophenyl)methylsulfinyl]-N-methylacetamide.
What is the SMILES notation for 2-[bis(4-chlorophenyl)methylsulfinyl]-N-methylacetamide?
The canonical SMILES for 2-[bis(4-chlorophenyl)methylsulfinyl]-N-methylacetamide is CNC(=O)CS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[bis(4-chlorophenyl)methylsulfinyl]-N-methylacetamide?
The InChIKey is HYCJMYSQXYRGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2S/c1-19-15(20)10-22(21)16(11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9,16H,10H2,1H3,(H,19,20).
What are the key properties of 2-[bis(4-chlorophenyl)methylsulfinyl]-N-methylacetamide?
2-[bis(4-chlorophenyl)methylsulfinyl]-N-methylacetamide has a molecular weight of 356.27 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-chlorophenyl)methylsulfinyl]-N-methylacetamide is sourced from PubChem (CID 53324069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).