SDF/Mol File of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide (C18H30FN3O2S)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide Molecule

• Chemical structure of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide is available in chemical structure page of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide

  The molecular weight of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide is available in molecular weight page of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide, 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 N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide

  The chemical formula of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide is given in chemical formula page of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide, 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 N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide is:

  InChI=1S/C18H30FN3O2S/c1-4-21-10-12-22(13-11-21)18(2,3)15-20-25(23,24)14-9-16-7-5-6-8-17(16)19/h5-8,20H,4,9-15H2,1-3H3

  It can provide a standard way to encode the molecular information of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide 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 N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide is:

  InChIKey=YVMCIJOLOVKONW-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide, but it needs to be linked to the full InChI to get back to the original structure of the N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide

  The N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide including the registry numbers are listed below, if available:

  
  
  None available.

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N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide Identification Summary Frequently Asked Questions (FAQs)

What’s the N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide formula?
C18H30FN3O2S
How many atoms and what elements are included in the N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide molecule?
55 atom(s) - 30 Hydrogen atom(s), 18 Carbon atom(s), 3 Nitrogen atom(s), 2 Oxygen atom(s), 1 Sulfur atom(s), and 1 Fluorine atom(s)
How many chemical bonds and what kind of bonds are in the N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide structure?
56 bond(s) - 26 non-H bond(s), 8 multiple bond(s), 8 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 2 tertiary amine(s) (aliphatic), and 1 sulfonamide(s) (thio-/dithio-)
What’s the N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide’s molar mass?
371.513103 g/mol
What’s the SMILES structure of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide?
CCN1CCN(CC1)C(C)(C)CNS(=O)(=O)CCc2ccccc2F
What’s the InChI code of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide?
InChI=1S/C18H30FN3O2S/c1-4-21-10-12-22(13-11-21)18(2,3)15-20-25(23,24)14-9-16-7-5-6-8-17(16)19/h5-8,20H,4,9-15H2,1-3H3
What’s the InChIKey format of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-fluorophenyl)ethane-1-sulfonamide?
YVMCIJOLOVKONW-UHFFFAOYSA-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).