2-[[3-[3-(trifluoromethyl)phenyl]phenyl]methylsulfinyl]acetamide

C16H14F3NO2S — CID 11595308

IUPAC2-[[3-[3-(trifluoromethyl)phenyl]phenyl]methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)Cc1cccc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H14F3NO2S/c17-16(18,19)14-6-2-5-13(8-14)12-4-1-3-11(7-12)9-23(22)10-15(20)21/h1-8H,9-10H2,(H2,20,21)
InChIKeyLXHCWNVWJOTSIF-UHFFFAOYSA-N
MW341.35 g/mol
LogP3.11
Rot. Bonds5

About 2-[[3-[3-(trifluoromethyl)phenyl]phenyl]methylsulfinyl]acetamide

2-[[3-[3-(trifluoromethyl)phenyl]phenyl]methylsulfinyl]acetamide (PubChem CID 11595308) has the molecular formula C16H14F3NO2S and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-[[3-[3-(trifluoromethyl)phenyl]phenyl]methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[[3-[3-(trifluoromethyl)phenyl]phenyl]methylsulfinyl]acetamide
PubChem CID11595308
Molecular FormulaC16H14F3NO2S
Molecular Weight341.35 g/mol
Exact Mass341.07
IUPAC Name2-[[3-[3-(trifluoromethyl)phenyl]phenyl]methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)Cc1cccc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H14F3NO2S/c17-16(18,19)14-6-2-5-13(8-14)12-4-1-3-11(7-12)9-23(22)10-15(20)21/h1-8H,9-10H2,(H2,20,21)
InChIKeyLXHCWNVWJOTSIF-UHFFFAOYSA-N
XLogP3.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-(trifluoromethyl)phenyl]phenyl]methylsulfinyl]acetamide?
The IUPAC name of 2-[[3-[3-(trifluoromethyl)phenyl]phenyl]methylsulfinyl]acetamide (CID 11595308) is 2-[[3-[3-(trifluoromethyl)phenyl]phenyl]methylsulfinyl]acetamide.
What is the SMILES notation for 2-[[3-[3-(trifluoromethyl)phenyl]phenyl]methylsulfinyl]acetamide?
The canonical SMILES for 2-[[3-[3-(trifluoromethyl)phenyl]phenyl]methylsulfinyl]acetamide is NC(=O)CS(=O)Cc1cccc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-[[3-[3-(trifluoromethyl)phenyl]phenyl]methylsulfinyl]acetamide?
The InChIKey is LXHCWNVWJOTSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2S/c17-16(18,19)14-6-2-5-13(8-14)12-4-1-3-11(7-12)9-23(22)10-15(20)21/h1-8H,9-10H2,(H2,20,21).
What are the key properties of 2-[[3-[3-(trifluoromethyl)phenyl]phenyl]methylsulfinyl]acetamide?
2-[[3-[3-(trifluoromethyl)phenyl]phenyl]methylsulfinyl]acetamide has a molecular weight of 341.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-(trifluoromethyl)phenyl]phenyl]methylsulfinyl]acetamide is sourced from PubChem (CID 11595308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).