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

C17H17Cl2NO2S — CID 53318785

IUPAC2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2NO2S/c1-20(2)16(21)11-23(22)17(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,17H,11H2,1-2H3
InChIKeyDCLSCDCSQMQJAA-UHFFFAOYSA-N
MW370.30 g/mol
LogP3.92
Rot. Bonds5

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

2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylacetamide (PubChem CID 53318785) has the molecular formula C17H17Cl2NO2S and a molecular weight of 370.30 g/mol. Its IUPAC name is 2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylacetamide
PubChem CID53318785
Molecular FormulaC17H17Cl2NO2S
Molecular Weight370.30 g/mol
Exact Mass369.04
IUPAC Name2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2NO2S/c1-20(2)16(21)11-23(22)17(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,17H,11H2,1-2H3
InChIKeyDCLSCDCSQMQJAA-UHFFFAOYSA-N
XLogP3.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 53.92
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-dimethylacetamide?
The IUPAC name of 2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylacetamide (CID 53318785) is 2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylacetamide is CN(C)C(=O)CS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylacetamide?
The InChIKey is DCLSCDCSQMQJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2S/c1-20(2)16(21)11-23(22)17(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,17H,11H2,1-2H3.
What are the key properties of 2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylacetamide?
2-[bis(4-chlorophenyl)methylsulfinyl]-N,N-dimethylacetamide has a molecular weight of 370.30 g/mol, XLogP of 3.92, 5 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-dimethylacetamide is sourced from PubChem (CID 53318785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).