N-(3-cyclobutyloxyphenyl)-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide

C18H19F3N2O3S — CID 23521697

IUPACN-(3-cyclobutyloxyphenyl)-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)N(Cc1cccnc1)c1cccc(OC2CCC2)c1
InChIInChI=1S/C18H19F3N2O3S/c19-18(20,21)13-27(24,25)23(12-14-4-3-9-22-11-14)15-5-1-8-17(10-15)26-16-6-2-7-16/h1,3-5,8-11,16H,2,6-7,12-13H2
InChIKeyPLFOOFNVJVQCNI-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.91
Rot. Bonds7

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

N-(3-cyclobutyloxyphenyl)-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide (PubChem CID 23521697) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is N-(3-cyclobutyloxyphenyl)-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-cyclobutyloxyphenyl)-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide
PubChem CID23521697
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC NameN-(3-cyclobutyloxyphenyl)-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)N(Cc1cccnc1)c1cccc(OC2CCC2)c1
InChIInChI=1S/C18H19F3N2O3S/c19-18(20,21)13-27(24,25)23(12-14-4-3-9-22-11-14)15-5-1-8-17(10-15)26-16-6-2-7-16/h1,3-5,8-11,16H,2,6-7,12-13H2
InChIKeyPLFOOFNVJVQCNI-UHFFFAOYSA-N
XLogP3.91
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyloxyphenyl)-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of N-(3-cyclobutyloxyphenyl)-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide (CID 23521697) is N-(3-cyclobutyloxyphenyl)-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-(3-cyclobutyloxyphenyl)-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-(3-cyclobutyloxyphenyl)-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide is O=S(=O)(CC(F)(F)F)N(Cc1cccnc1)c1cccc(OC2CCC2)c1.
What is the InChIKey of N-(3-cyclobutyloxyphenyl)-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The InChIKey is PLFOOFNVJVQCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c19-18(20,21)13-27(24,25)23(12-14-4-3-9-22-11-14)15-5-1-8-17(10-15)26-16-6-2-7-16/h1,3-5,8-11,16H,2,6-7,12-13H2.
What are the key properties of N-(3-cyclobutyloxyphenyl)-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide?
N-(3-cyclobutyloxyphenyl)-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide has a molecular weight of 400.42 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyloxyphenyl)-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 23521697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).