N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C22H21F3N2O2S — CID 121126866

IUPACN-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C22H21F3N2O2S/c23-22(24,25)20-11-9-19(10-12-20)17-30(28,29)27(16-21-8-4-5-14-26-21)15-13-18-6-2-1-3-7-18/h1-12,14H,13,15-17H2
InChIKeyRJIFURVFGXAJJY-UHFFFAOYSA-N
MW434.48 g/mol
LogP4.68
Rot. Bonds8

About N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 121126866) has the molecular formula C22H21F3N2O2S and a molecular weight of 434.48 g/mol. Its IUPAC name is N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID121126866
Molecular FormulaC22H21F3N2O2S
Molecular Weight434.48 g/mol
Exact Mass434.13
IUPAC NameN-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C22H21F3N2O2S/c23-22(24,25)20-11-9-19(10-12-20)17-30(28,29)27(16-21-8-4-5-14-26-21)15-13-18-6-2-1-3-7-18/h1-12,14H,13,15-17H2
InChIKeyRJIFURVFGXAJJY-UHFFFAOYSA-N
XLogP4.68
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 121126866) is N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N(CCc1ccccc1)Cc1ccccn1.
What is the InChIKey of N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is RJIFURVFGXAJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O2S/c23-22(24,25)20-11-9-19(10-12-20)17-30(28,29)27(16-21-8-4-5-14-26-21)15-13-18-6-2-1-3-7-18/h1-12,14H,13,15-17H2.
What are the key properties of N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 434.48 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 121126866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).