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

C17H17F2NO2S — CID 53321412

IUPAC2-[bis(4-fluorophenyl)methylsulfinyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17F2NO2S/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
InChIKeyIERFCPXZLPXEKX-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.89
Rot. Bonds5

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

2-[bis(4-fluorophenyl)methylsulfinyl]-N,N-dimethylacetamide (PubChem CID 53321412) has the molecular formula C17H17F2NO2S and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methylsulfinyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methylsulfinyl]-N,N-dimethylacetamide
PubChem CID53321412
Molecular FormulaC17H17F2NO2S
Molecular Weight337.39 g/mol
Exact Mass337.09
IUPAC Name2-[bis(4-fluorophenyl)methylsulfinyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17F2NO2S/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
InChIKeyIERFCPXZLPXEKX-UHFFFAOYSA-N
XLogP2.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methylsulfinyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[bis(4-fluorophenyl)methylsulfinyl]-N,N-dimethylacetamide (CID 53321412) is 2-[bis(4-fluorophenyl)methylsulfinyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methylsulfinyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[bis(4-fluorophenyl)methylsulfinyl]-N,N-dimethylacetamide is CN(C)C(=O)CS(=O)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methylsulfinyl]-N,N-dimethylacetamide?
The InChIKey is IERFCPXZLPXEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2S/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-fluorophenyl)methylsulfinyl]-N,N-dimethylacetamide?
2-[bis(4-fluorophenyl)methylsulfinyl]-N,N-dimethylacetamide has a molecular weight of 337.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methylsulfinyl]-N,N-dimethylacetamide is sourced from PubChem (CID 53321412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).