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

C19H14F3NO2S — CID 6479593

IUPAC1,1,1-trifluoro-N-[5-[(E)-2-phenylethenyl]naphthalen-2-yl]methanesulfonamide
SMILESO=S(=O)(Nc1ccc2c(/C=C/c3ccccc3)cccc2c1)C(F)(F)F
InChIInChI=1S/C19H14F3NO2S/c20-19(21,22)26(24,25)23-17-11-12-18-15(7-4-8-16(18)13-17)10-9-14-5-2-1-3-6-14/h1-13,23H/b10-9+
InChIKeyVGMFGRCGQUJRPG-MDZDMXLPSA-N
MW377.39 g/mol
LogP5.27
Rot. Bonds4

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

1,1,1-trifluoro-N-[5-[(E)-2-phenylethenyl]naphthalen-2-yl]methanesulfonamide (PubChem CID 6479593) has the molecular formula C19H14F3NO2S and a molecular weight of 377.39 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[5-[(E)-2-phenylethenyl]naphthalen-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[5-[(E)-2-phenylethenyl]naphthalen-2-yl]methanesulfonamide
PubChem CID6479593
Molecular FormulaC19H14F3NO2S
Molecular Weight377.39 g/mol
Exact Mass377.07
IUPAC Name1,1,1-trifluoro-N-[5-[(E)-2-phenylethenyl]naphthalen-2-yl]methanesulfonamide
SMILESO=S(=O)(Nc1ccc2c(/C=C/c3ccccc3)cccc2c1)C(F)(F)F
InChIInChI=1S/C19H14F3NO2S/c20-19(21,22)26(24,25)23-17-11-12-18-15(7-4-8-16(18)13-17)10-9-14-5-2-1-3-6-14/h1-13,23H/b10-9+
InChIKeyVGMFGRCGQUJRPG-MDZDMXLPSA-N
XLogP5.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 55.27
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-phenylethenyl]naphthalen-2-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[5-[(E)-2-phenylethenyl]naphthalen-2-yl]methanesulfonamide (CID 6479593) is 1,1,1-trifluoro-N-[5-[(E)-2-phenylethenyl]naphthalen-2-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[5-[(E)-2-phenylethenyl]naphthalen-2-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[5-[(E)-2-phenylethenyl]naphthalen-2-yl]methanesulfonamide is O=S(=O)(Nc1ccc2c(/C=C/c3ccccc3)cccc2c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[5-[(E)-2-phenylethenyl]naphthalen-2-yl]methanesulfonamide?
The InChIKey is VGMFGRCGQUJRPG-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H14F3NO2S/c20-19(21,22)26(24,25)23-17-11-12-18-15(7-4-8-16(18)13-17)10-9-14-5-2-1-3-6-14/h1-13,23H/b10-9+.
What are the key properties of 1,1,1-trifluoro-N-[5-[(E)-2-phenylethenyl]naphthalen-2-yl]methanesulfonamide?
1,1,1-trifluoro-N-[5-[(E)-2-phenylethenyl]naphthalen-2-yl]methanesulfonamide has a molecular weight of 377.39 g/mol, XLogP of 5.27, 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-phenylethenyl]naphthalen-2-yl]methanesulfonamide is sourced from PubChem (CID 6479593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).