SDF/Mol File of (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide (C20H23FN2O3S)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide Molecule

• Chemical structure of (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide is available in chemical structure page of (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide

  The molecular weight of (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide is available in molecular weight page of (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide

  The chemical formula of (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide is given in chemical formula page of (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide is:

  InChI=1S/C20H23FN2O3S/c21-18-10-5-4-9-17(18)12-14-27(25,26)23-13-6-11-19(23)20(24)22-15-16-7-2-1-3-8-16/h1-5,7-10,19H,6,11-15H2,(H,22,24)/t19-/m0/s1

  It can provide a standard way to encode the molecular information of (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide is:

  InChIKey=GCQCEANLIWQRSX-IBGZPJMESA-N

  The InChIKey may allow easier web searches for (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide, but it needs to be linked to the full InChI to get back to the original structure of the (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide

  The (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide including the registry numbers are listed below, if available:

  
  
  None available.

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(2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide Identification Summary Frequently Asked Questions (FAQs)

What’s the (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide formula?
C20H23FN2O3S
How many atoms and what elements are included in the (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide molecule?
50 atom(s) - 23 Hydrogen atom(s), 20 Carbon atom(s), 2 Nitrogen atom(s), 3 Oxygen atom(s), 1 Sulfur atom(s), and 1 Fluorine atom(s)
How many chemical bonds and what kind of bonds are in the (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide structure?
52 bond(s) - 29 non-H bond(s), 15 multiple bond(s), 7 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 secondary amide(s) (aliphatic), 1 sulfonamide(s) (thio-/dithio-), and 1 Pyrrolidine(s)
What’s the (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide’s molar mass?
390.471623 g/mol
What’s the SMILES structure of (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide?
Fc1ccccc1CCS(=O)(=O)N2CCCC2C(=O)NCc3ccccc3
What’s the InChI code of (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide?
InChI=1S/C20H23FN2O3S/c21-18-10-5-4-9-17(18)12-14-27(25,26)23-13-6-11-19(23)20(24)22-15-16-7-2-1-3-8-16/h1-5,7-10,19H,6,11-15H2,(H,22,24)/t19-/m0/s1
What’s the InChIKey format of (2S)-N-benzyl-1-{[2-(2-fluorophenyl)ethane]sulfonyl}pyrrolidine-2-carboxamide?
GCQCEANLIWQRSX-IBGZPJMESA-N

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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).