2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)sulfinylethyl]acetamide

C16H15Cl2NO2S — CID 1489579

IUPAC2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)sulfinylethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO2S/c17-13-3-1-12(2-4-13)11-16(20)19-9-10-22(21)15-7-5-14(18)6-8-15/h1-8H,9-11H2,(H,19,20)
InChIKeyHQTIWEPBNSCGAQ-UHFFFAOYSA-N
MW356.27 g/mol
LogP3.46
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)sulfinylethyl]acetamide

2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)sulfinylethyl]acetamide (PubChem CID 1489579) has the molecular formula C16H15Cl2NO2S and a molecular weight of 356.27 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)sulfinylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)sulfinylethyl]acetamide
PubChem CID1489579
Molecular FormulaC16H15Cl2NO2S
Molecular Weight356.27 g/mol
Exact Mass355.02
IUPAC Name2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)sulfinylethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO2S/c17-13-3-1-12(2-4-13)11-16(20)19-9-10-22(21)15-7-5-14(18)6-8-15/h1-8H,9-11H2,(H,19,20)
InChIKeyHQTIWEPBNSCGAQ-UHFFFAOYSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)sulfinylethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)sulfinylethyl]acetamide (CID 1489579) is 2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)sulfinylethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)sulfinylethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)sulfinylethyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCCS(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)sulfinylethyl]acetamide?
The InChIKey is HQTIWEPBNSCGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2S/c17-13-3-1-12(2-4-13)11-16(20)19-9-10-22(21)15-7-5-14(18)6-8-15/h1-8H,9-11H2,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)sulfinylethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)sulfinylethyl]acetamide has a molecular weight of 356.27 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)sulfinylethyl]acetamide is sourced from PubChem (CID 1489579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).