N-(1,2-diphenylethyl)-1,1,1-trifluoromethanesulfonamide

C15H14F3NO2S — CID 148920988

IUPACN-(1,2-diphenylethyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC(Cc1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H14F3NO2S/c16-15(17,18)22(20,21)19-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14,19H,11H2
InChIKeyAXXTWHCSJVUNFW-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.41
Rot. Bonds5

About N-(1,2-diphenylethyl)-1,1,1-trifluoromethanesulfonamide

N-(1,2-diphenylethyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 148920988) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID148920988
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC NameN-(1,2-diphenylethyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC(Cc1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H14F3NO2S/c16-15(17,18)22(20,21)19-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14,19H,11H2
InChIKeyAXXTWHCSJVUNFW-UHFFFAOYSA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(1,2-diphenylethyl)-1,1,1-trifluoromethanesulfonamide (CID 148920988) is N-(1,2-diphenylethyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(1,2-diphenylethyl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NC(Cc1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-(1,2-diphenylethyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is AXXTWHCSJVUNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c16-15(17,18)22(20,21)19-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14,19H,11H2.
What are the key properties of N-(1,2-diphenylethyl)-1,1,1-trifluoromethanesulfonamide?
N-(1,2-diphenylethyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 329.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 148920988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).