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

C18H14F3NO3S — CID 14548138

IUPAC1,1,1-trifluoro-N-[3-(naphthalen-2-ylmethoxy)phenyl]methanesulfonamide
SMILESO=S(=O)(Nc1cccc(OCc2ccc3ccccc3c2)c1)C(F)(F)F
InChIInChI=1S/C18H14F3NO3S/c19-18(20,21)26(23,24)22-16-6-3-7-17(11-16)25-12-13-8-9-14-4-1-2-5-15(14)10-13/h1-11,22H,12H2
InChIKeySWFUJGWYMSQWDT-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.68
Rot. Bonds5

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

1,1,1-trifluoro-N-[3-(naphthalen-2-ylmethoxy)phenyl]methanesulfonamide (PubChem CID 14548138) has the molecular formula C18H14F3NO3S and a molecular weight of 381.38 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[3-(naphthalen-2-ylmethoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[3-(naphthalen-2-ylmethoxy)phenyl]methanesulfonamide
PubChem CID14548138
Molecular FormulaC18H14F3NO3S
Molecular Weight381.38 g/mol
Exact Mass381.06
IUPAC Name1,1,1-trifluoro-N-[3-(naphthalen-2-ylmethoxy)phenyl]methanesulfonamide
SMILESO=S(=O)(Nc1cccc(OCc2ccc3ccccc3c2)c1)C(F)(F)F
InChIInChI=1S/C18H14F3NO3S/c19-18(20,21)26(23,24)22-16-6-3-7-17(11-16)25-12-13-8-9-14-4-1-2-5-15(14)10-13/h1-11,22H,12H2
InChIKeySWFUJGWYMSQWDT-UHFFFAOYSA-N
XLogP4.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[3-(naphthalen-2-ylmethoxy)phenyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[3-(naphthalen-2-ylmethoxy)phenyl]methanesulfonamide (CID 14548138) is 1,1,1-trifluoro-N-[3-(naphthalen-2-ylmethoxy)phenyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[3-(naphthalen-2-ylmethoxy)phenyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[3-(naphthalen-2-ylmethoxy)phenyl]methanesulfonamide is O=S(=O)(Nc1cccc(OCc2ccc3ccccc3c2)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[3-(naphthalen-2-ylmethoxy)phenyl]methanesulfonamide?
The InChIKey is SWFUJGWYMSQWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO3S/c19-18(20,21)26(23,24)22-16-6-3-7-17(11-16)25-12-13-8-9-14-4-1-2-5-15(14)10-13/h1-11,22H,12H2.
What are the key properties of 1,1,1-trifluoro-N-[3-(naphthalen-2-ylmethoxy)phenyl]methanesulfonamide?
1,1,1-trifluoro-N-[3-(naphthalen-2-ylmethoxy)phenyl]methanesulfonamide has a molecular weight of 381.38 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[3-(naphthalen-2-ylmethoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 14548138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).