1,1,1-trifluoro-N-[5-[(E)-2-quinolin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide

C22H15F3N2O2S — CID 6479585

IUPAC1,1,1-trifluoro-N-[5-[(E)-2-quinolin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide
SMILESO=S(=O)(Nc1ccc2c(/C=C/c3ccc4ccccc4n3)cccc2c1)C(F)(F)F
InChIInChI=1S/C22H15F3N2O2S/c23-22(24,25)30(28,29)27-19-12-13-20-15(5-3-6-17(20)14-19)8-10-18-11-9-16-4-1-2-7-21(16)26-18/h1-14,27H/b10-8+
InChIKeyZZHRLTHFRKTIEE-CSKARUKUSA-N
MW428.44 g/mol
LogP5.82
Rot. Bonds4

About 1,1,1-trifluoro-N-[5-[(E)-2-quinolin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide

1,1,1-trifluoro-N-[5-[(E)-2-quinolin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide (PubChem CID 6479585) has the molecular formula C22H15F3N2O2S and a molecular weight of 428.44 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[5-[(E)-2-quinolin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[5-[(E)-2-quinolin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide
PubChem CID6479585
Molecular FormulaC22H15F3N2O2S
Molecular Weight428.44 g/mol
Exact Mass428.08
IUPAC Name1,1,1-trifluoro-N-[5-[(E)-2-quinolin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide
SMILESO=S(=O)(Nc1ccc2c(/C=C/c3ccc4ccccc4n3)cccc2c1)C(F)(F)F
InChIInChI=1S/C22H15F3N2O2S/c23-22(24,25)30(28,29)27-19-12-13-20-15(5-3-6-17(20)14-19)8-10-18-11-9-16-4-1-2-7-21(16)26-18/h1-14,27H/b10-8+
InChIKeyZZHRLTHFRKTIEE-CSKARUKUSA-N
XLogP5.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 55.82
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-[5-[(E)-2-quinolin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[5-[(E)-2-quinolin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide (CID 6479585) is 1,1,1-trifluoro-N-[5-[(E)-2-quinolin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[5-[(E)-2-quinolin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[5-[(E)-2-quinolin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide is O=S(=O)(Nc1ccc2c(/C=C/c3ccc4ccccc4n3)cccc2c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[5-[(E)-2-quinolin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide?
The InChIKey is ZZHRLTHFRKTIEE-CSKARUKUSA-N. The full InChI is InChI=1S/C22H15F3N2O2S/c23-22(24,25)30(28,29)27-19-12-13-20-15(5-3-6-17(20)14-19)8-10-18-11-9-16-4-1-2-7-21(16)26-18/h1-14,27H/b10-8+.
What are the key properties of 1,1,1-trifluoro-N-[5-[(E)-2-quinolin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide?
1,1,1-trifluoro-N-[5-[(E)-2-quinolin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide has a molecular weight of 428.44 g/mol, XLogP of 5.82, 4 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-[5-[(E)-2-quinolin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide is sourced from PubChem (CID 6479585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).