2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylethanamine

C17H19Cl2NOS — CID 53326640

IUPAC2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylethanamine
SMILESCN(C)CCS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2NOS/c1-20(2)11-12-22(21)17(13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14/h3-10,17H,11-12H2,1-2H3
InChIKeyFYIWAHGCHKFPFG-UHFFFAOYSA-N
MW356.32 g/mol
LogP4.39
Rot. Bonds6

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

2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylethanamine (PubChem CID 53326640) has the molecular formula C17H19Cl2NOS and a molecular weight of 356.32 g/mol. Its IUPAC name is 2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylethanamine
PubChem CID53326640
Molecular FormulaC17H19Cl2NOS
Molecular Weight356.32 g/mol
Exact Mass355.06
IUPAC Name2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylethanamine
SMILESCN(C)CCS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2NOS/c1-20(2)11-12-22(21)17(13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14/h3-10,17H,11-12H2,1-2H3
InChIKeyFYIWAHGCHKFPFG-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylethanamine (CID 53326640) is 2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylethanamine is CN(C)CCS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylethanamine?
The InChIKey is FYIWAHGCHKFPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NOS/c1-20(2)11-12-22(21)17(13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylethanamine?
2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylethanamine has a molecular weight of 356.32 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylethanamine is sourced from PubChem (CID 53326640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).