Structure & Deep Data of Lansoprazole Sulfide N-Oxide (C16H14F3N3O2S)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Lansoprazole Sulfide N-Oxide molecule contains a total of 41 bond(s). There are 27 non-H bond(s), 17 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 16 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 ether(s) (aromatic), 1 sulfide(s), 1 Imidazole(s), and 1 Pyridine(s). Images of the chemical structure of Lansoprazole Sulfide N-Oxide are given below:

The 2D chemical structure image of Lansoprazole Sulfide N-Oxide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Lansoprazole Sulfide N-Oxide are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Lansoprazole Sulfide N-Oxide is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Lansoprazole Sulfide N-Oxide. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Lansoprazole Sulfide N-Oxide Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Lansoprazole Sulfide N-Oxide

  The SMILES string of Lansoprazole Sulfide N-Oxide is Cc1c(OCC(F)(F)F)cc[n+]([O-])c1CSc3nc2ccccc2[nH]3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Lansoprazole Sulfide N-Oxide.

• Structure Data File (SDF/MOL File) of Lansoprazole Sulfide N-Oxide

  The structure data file (SDF/MOL File) of Lansoprazole Sulfide N-Oxide is available for download in the SDF page of Lansoprazole Sulfide N-Oxide, which provides the information about the atoms, bonds, connectivity and coordinates of Lansoprazole Sulfide N-Oxide. The Lansoprazole Sulfide N-Oxide structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Lansoprazole Sulfide N-Oxide

  The molecular formula of Lansoprazole Sulfide N-Oxide is available in chemical formula page of Lansoprazole Sulfide N-Oxide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Lansoprazole Sulfide N-Oxide

  The molecular weight of Lansoprazole Sulfide N-Oxide is available in molecular weight page of Lansoprazole Sulfide N-Oxide, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Lansoprazole Sulfide N-Oxide

  The Lansoprazole Sulfide N-Oxide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Lansoprazole Sulfide N-Oxide including the various registry numbers, if available:

  • 2-[[[4-(2,2,2-Trifluoroethoxy)-3-methyl-1-oxopyridin-2-yl]methyl]sulfanyl]-1H-benzimidazole
  • 2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-1H-benzimidazole N-Oxide
  • 163119-30-0
  • Lansoprazole Sulfide N-Oxide

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Lansoprazole Sulfide N-Oxide Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Lansoprazole Sulfide N-Oxide?
C16H14F3N3O2S
How many atoms and what are the elements included the Lansoprazole Sulfide N-Oxide molecule?
39 atom(s) - 14 Hydrogen atom(s), 16 Carbon atom(s), 3 Nitrogen atom(s), 2 Oxygen atom(s), 1 Sulfur atom(s), and 3 Fluorine atom(s)
How many chemical bonds and what kind of bonds are included the Lansoprazole Sulfide N-Oxide structure?
41 bond(s) - 27 non-H bond(s), 17 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 16 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 ether(s) (aromatic), 1 sulfide(s), 1 Imidazole(s), and 1 Pyridine(s)
What’s the Lansoprazole Sulfide N-Oxide’s molecular weight?
369.36147 g/mol
What’s the SMILES code of Lansoprazole Sulfide N-Oxide?
Cc1c(OCC(F)(F)F)cc[n+]([O-])c1CSc3nc2ccccc2[nH]3
What’s the InChI string of Lansoprazole Sulfide N-Oxide?
InChI=1S/C16H14F3N3O2S/c1-10-13(22(23)7-6-14(10)24-9-16(17,18)19)8-25-15-20-11-4-2-3-5-12(11)21-15/h2-7H,8-9H2,1H3,(H,20,21)
What’s the InChIKey code of Lansoprazole Sulfide N-Oxide?
LGJKGASGASPHLH-UHFFFAOYSA-N

30 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).