2-[bis(4-chlorophenyl)methylsulfinyl]acetamide

C15H13Cl2NO2S — CID 53322734

IUPAC2-[bis(4-chlorophenyl)methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO2S/c16-12-5-1-10(2-6-12)15(21(20)9-14(18)19)11-3-7-13(17)8-4-11/h1-8,15H,9H2,(H2,18,19)
InChIKeyACDRNJRHWLTNFB-UHFFFAOYSA-N
MW342.25 g/mol
LogP3.32
Rot. Bonds5

About 2-[bis(4-chlorophenyl)methylsulfinyl]acetamide

2-[bis(4-chlorophenyl)methylsulfinyl]acetamide (PubChem CID 53322734) has the molecular formula C15H13Cl2NO2S and a molecular weight of 342.25 g/mol. Its IUPAC name is 2-[bis(4-chlorophenyl)methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[bis(4-chlorophenyl)methylsulfinyl]acetamide
PubChem CID53322734
Molecular FormulaC15H13Cl2NO2S
Molecular Weight342.25 g/mol
Exact Mass341.00
IUPAC Name2-[bis(4-chlorophenyl)methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO2S/c16-12-5-1-10(2-6-12)15(21(20)9-14(18)19)11-3-7-13(17)8-4-11/h1-8,15H,9H2,(H2,18,19)
InChIKeyACDRNJRHWLTNFB-UHFFFAOYSA-N
XLogP3.32
TPSA60.16 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 ≤ 53.32
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]acetamide?
The IUPAC name of 2-[bis(4-chlorophenyl)methylsulfinyl]acetamide (CID 53322734) is 2-[bis(4-chlorophenyl)methylsulfinyl]acetamide.
What is the SMILES notation for 2-[bis(4-chlorophenyl)methylsulfinyl]acetamide?
The canonical SMILES for 2-[bis(4-chlorophenyl)methylsulfinyl]acetamide is NC(=O)CS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[bis(4-chlorophenyl)methylsulfinyl]acetamide?
The InChIKey is ACDRNJRHWLTNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2S/c16-12-5-1-10(2-6-12)15(21(20)9-14(18)19)11-3-7-13(17)8-4-11/h1-8,15H,9H2,(H2,18,19).
What are the key properties of 2-[bis(4-chlorophenyl)methylsulfinyl]acetamide?
2-[bis(4-chlorophenyl)methylsulfinyl]acetamide has a molecular weight of 342.25 g/mol, XLogP of 3.32, 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]acetamide is sourced from PubChem (CID 53322734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).