2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide

C19H23F3N2O3S — CID 11362035

IUPAC2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCCCC(C)Oc1cccc(N(Cc2cccnc2)S(=O)(=O)CC(F)(F)F)c1
InChIInChI=1S/C19H23F3N2O3S/c1-3-6-15(2)27-18-9-4-8-17(11-18)24(13-16-7-5-10-23-12-16)28(25,26)14-19(20,21)22/h4-5,7-12,15H,3,6,13-14H2,1-2H3
InChIKeyICFXZBZASBXILF-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.55
Rot. Bonds9

About 2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide

2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide (PubChem CID 11362035) has the molecular formula C19H23F3N2O3S and a molecular weight of 416.47 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
PubChem CID11362035
Molecular FormulaC19H23F3N2O3S
Molecular Weight416.47 g/mol
Exact Mass416.14
IUPAC Name2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCCCC(C)Oc1cccc(N(Cc2cccnc2)S(=O)(=O)CC(F)(F)F)c1
InChIInChI=1S/C19H23F3N2O3S/c1-3-6-15(2)27-18-9-4-8-17(11-18)24(13-16-7-5-10-23-12-16)28(25,26)14-19(20,21)22/h4-5,7-12,15H,3,6,13-14H2,1-2H3
InChIKeyICFXZBZASBXILF-UHFFFAOYSA-N
XLogP4.55
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide (CID 11362035) is 2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide is CCCC(C)Oc1cccc(N(Cc2cccnc2)S(=O)(=O)CC(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The InChIKey is ICFXZBZASBXILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3S/c1-3-6-15(2)27-18-9-4-8-17(11-18)24(13-16-7-5-10-23-12-16)28(25,26)14-19(20,21)22/h4-5,7-12,15H,3,6,13-14H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide has a molecular weight of 416.47 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 11362035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).