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

C18H13F3N2O2S — CID 6479584

IUPAC1,1,1-trifluoro-N-[5-[(E)-2-pyridin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide
SMILESO=S(=O)(Nc1ccc2c(/C=C/c3ccccn3)cccc2c1)C(F)(F)F
InChIInChI=1S/C18H13F3N2O2S/c19-18(20,21)26(24,25)23-16-9-10-17-13(4-3-5-14(17)12-16)7-8-15-6-1-2-11-22-15/h1-12,23H/b8-7+
InChIKeyJINQBCDTTJDLNP-BQYQJAHWSA-N
MW378.38 g/mol
LogP4.67
Rot. Bonds4

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

1,1,1-trifluoro-N-[5-[(E)-2-pyridin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide (PubChem CID 6479584) has the molecular formula C18H13F3N2O2S and a molecular weight of 378.38 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[5-[(E)-2-pyridin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[5-[(E)-2-pyridin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide
PubChem CID6479584
Molecular FormulaC18H13F3N2O2S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC Name1,1,1-trifluoro-N-[5-[(E)-2-pyridin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide
SMILESO=S(=O)(Nc1ccc2c(/C=C/c3ccccn3)cccc2c1)C(F)(F)F
InChIInChI=1S/C18H13F3N2O2S/c19-18(20,21)26(24,25)23-16-9-10-17-13(4-3-5-14(17)12-16)7-8-15-6-1-2-11-22-15/h1-12,23H/b8-7+
InChIKeyJINQBCDTTJDLNP-BQYQJAHWSA-N
XLogP4.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.67
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-pyridin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[5-[(E)-2-pyridin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide (CID 6479584) is 1,1,1-trifluoro-N-[5-[(E)-2-pyridin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[5-[(E)-2-pyridin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[5-[(E)-2-pyridin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide is O=S(=O)(Nc1ccc2c(/C=C/c3ccccn3)cccc2c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[5-[(E)-2-pyridin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide?
The InChIKey is JINQBCDTTJDLNP-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H13F3N2O2S/c19-18(20,21)26(24,25)23-16-9-10-17-13(4-3-5-14(17)12-16)7-8-15-6-1-2-11-22-15/h1-12,23H/b8-7+.
What are the key properties of 1,1,1-trifluoro-N-[5-[(E)-2-pyridin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide?
1,1,1-trifluoro-N-[5-[(E)-2-pyridin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide has a molecular weight of 378.38 g/mol, XLogP of 4.67, 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-pyridin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide is sourced from PubChem (CID 6479584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).