1,1,1-trifluoro-N-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]methanesulfonamide

C19H17F3N2O3S — CID 14302397

IUPAC1,1,1-trifluoro-N-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]methanesulfonamide
SMILESO=S(=O)(NCCc1cccc(OCc2ccc3ccccc3n2)c1)C(F)(F)F
InChIInChI=1S/C19H17F3N2O3S/c20-19(21,22)28(25,26)23-11-10-14-4-3-6-17(12-14)27-13-16-9-8-15-5-1-2-7-18(15)24-16/h1-9,12,23H,10-11,13H2
InChIKeyQIBPAYYSORPALZ-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.80
Rot. Bonds7

About 1,1,1-trifluoro-N-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]methanesulfonamide

1,1,1-trifluoro-N-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]methanesulfonamide (PubChem CID 14302397) has the molecular formula C19H17F3N2O3S and a molecular weight of 410.42 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]methanesulfonamide
PubChem CID14302397
Molecular FormulaC19H17F3N2O3S
Molecular Weight410.42 g/mol
Exact Mass410.09
IUPAC Name1,1,1-trifluoro-N-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]methanesulfonamide
SMILESO=S(=O)(NCCc1cccc(OCc2ccc3ccccc3n2)c1)C(F)(F)F
InChIInChI=1S/C19H17F3N2O3S/c20-19(21,22)28(25,26)23-11-10-14-4-3-6-17(12-14)27-13-16-9-8-15-5-1-2-7-18(15)24-16/h1-9,12,23H,10-11,13H2
InChIKeyQIBPAYYSORPALZ-UHFFFAOYSA-N
XLogP3.80
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]methanesulfonamide (CID 14302397) is 1,1,1-trifluoro-N-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]methanesulfonamide is O=S(=O)(NCCc1cccc(OCc2ccc3ccccc3n2)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]methanesulfonamide?
The InChIKey is QIBPAYYSORPALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3S/c20-19(21,22)28(25,26)23-11-10-14-4-3-6-17(12-14)27-13-16-9-8-15-5-1-2-7-18(15)24-16/h1-9,12,23H,10-11,13H2.
What are the key properties of 1,1,1-trifluoro-N-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]methanesulfonamide has a molecular weight of 410.42 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 14302397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).