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

C23H16F3NO2S — CID 6479597

IUPAC1,1,1-trifluoro-N-[5-[(E)-2-naphthalen-2-ylethenyl]naphthalen-2-yl]methanesulfonamide
SMILESO=S(=O)(Nc1ccc2c(/C=C/c3ccc4ccccc4c3)cccc2c1)C(F)(F)F
InChIInChI=1S/C23H16F3NO2S/c24-23(25,26)30(28,29)27-21-12-13-22-18(6-3-7-20(22)15-21)11-9-16-8-10-17-4-1-2-5-19(17)14-16/h1-15,27H/b11-9+
InChIKeyATHGVPHRNPUWDL-PKNBQFBNSA-N
MW427.45 g/mol
LogP6.42
Rot. Bonds4

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

1,1,1-trifluoro-N-[5-[(E)-2-naphthalen-2-ylethenyl]naphthalen-2-yl]methanesulfonamide (PubChem CID 6479597) has the molecular formula C23H16F3NO2S and a molecular weight of 427.45 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[5-[(E)-2-naphthalen-2-ylethenyl]naphthalen-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[5-[(E)-2-naphthalen-2-ylethenyl]naphthalen-2-yl]methanesulfonamide
PubChem CID6479597
Molecular FormulaC23H16F3NO2S
Molecular Weight427.45 g/mol
Exact Mass427.09
IUPAC Name1,1,1-trifluoro-N-[5-[(E)-2-naphthalen-2-ylethenyl]naphthalen-2-yl]methanesulfonamide
SMILESO=S(=O)(Nc1ccc2c(/C=C/c3ccc4ccccc4c3)cccc2c1)C(F)(F)F
InChIInChI=1S/C23H16F3NO2S/c24-23(25,26)30(28,29)27-21-12-13-22-18(6-3-7-20(22)15-21)11-9-16-8-10-17-4-1-2-5-19(17)14-16/h1-15,27H/b11-9+
InChIKeyATHGVPHRNPUWDL-PKNBQFBNSA-N
XLogP6.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.45
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[5-[(E)-2-naphthalen-2-ylethenyl]naphthalen-2-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[5-[(E)-2-naphthalen-2-ylethenyl]naphthalen-2-yl]methanesulfonamide (CID 6479597) is 1,1,1-trifluoro-N-[5-[(E)-2-naphthalen-2-ylethenyl]naphthalen-2-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[5-[(E)-2-naphthalen-2-ylethenyl]naphthalen-2-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[5-[(E)-2-naphthalen-2-ylethenyl]naphthalen-2-yl]methanesulfonamide is O=S(=O)(Nc1ccc2c(/C=C/c3ccc4ccccc4c3)cccc2c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[5-[(E)-2-naphthalen-2-ylethenyl]naphthalen-2-yl]methanesulfonamide?
The InChIKey is ATHGVPHRNPUWDL-PKNBQFBNSA-N. The full InChI is InChI=1S/C23H16F3NO2S/c24-23(25,26)30(28,29)27-21-12-13-22-18(6-3-7-20(22)15-21)11-9-16-8-10-17-4-1-2-5-19(17)14-16/h1-15,27H/b11-9+.
What are the key properties of 1,1,1-trifluoro-N-[5-[(E)-2-naphthalen-2-ylethenyl]naphthalen-2-yl]methanesulfonamide?
1,1,1-trifluoro-N-[5-[(E)-2-naphthalen-2-ylethenyl]naphthalen-2-yl]methanesulfonamide has a molecular weight of 427.45 g/mol, XLogP of 6.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[5-[(E)-2-naphthalen-2-ylethenyl]naphthalen-2-yl]methanesulfonamide is sourced from PubChem (CID 6479597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).