SDF/Mol File of Chloro[4-(ethanesulfonyl)phenyl]methanamine (C9H12ClNO2S)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Chloro[4-(ethanesulfonyl)phenyl]methanamine Molecule

• Chemical structure of chloro[4-(ethanesulfonyl)phenyl]methanamine

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of chloro[4-(ethanesulfonyl)phenyl]methanamine is available in chemical structure page of chloro[4-(ethanesulfonyl)phenyl]methanamine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of chloro[4-(ethanesulfonyl)phenyl]methanamine

  The molecular weight of chloro[4-(ethanesulfonyl)phenyl]methanamine is available in molecular weight page of chloro[4-(ethanesulfonyl)phenyl]methanamine, 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 chloro[4-(ethanesulfonyl)phenyl]methanamine

  The chemical formula of chloro[4-(ethanesulfonyl)phenyl]methanamine is given in chemical formula page of chloro[4-(ethanesulfonyl)phenyl]methanamine, 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 chloro[4-(ethanesulfonyl)phenyl]methanamine

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of chloro[4-(ethanesulfonyl)phenyl]methanamine is:

  InChI=1S/C9H12ClNO2S/c1-2-14(12,13)8-5-3-7(4-6-8)9(10)11/h3-6,9H,2,11H2,1H3

  It can provide a standard way to encode the molecular information of chloro[4-(ethanesulfonyl)phenyl]methanamine 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 chloro[4-(ethanesulfonyl)phenyl]methanamine is:

  InChIKey=GXZGSRTVXUHALV-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for chloro[4-(ethanesulfonyl)phenyl]methanamine, but it needs to be linked to the full InChI to get back to the original structure of the chloro[4-(ethanesulfonyl)phenyl]methanamine since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of chloro[4-(ethanesulfonyl)phenyl]methanamine

  The chloro[4-(ethanesulfonyl)phenyl]methanamine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of chloro[4-(ethanesulfonyl)phenyl]methanamine including the registry numbers are listed below, if available:

  
  
  None available.

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Chloro[4-(ethanesulfonyl)phenyl]methanamine Identification Summary Frequently Asked Questions (FAQs)

What’s the chloro[4-(ethanesulfonyl)phenyl]methanamine formula?
C9H12ClNO2S
How many atoms and what elements are included in the chloro[4-(ethanesulfonyl)phenyl]methanamine molecule?
26 atom(s) - 12 Hydrogen atom(s), 9 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s), 1 Sulfur atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are in the chloro[4-(ethanesulfonyl)phenyl]methanamine structure?
26 bond(s) - 14 non-H bond(s), 8 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 primary amine(s) (aliphatic), and 1 sulfone(s)
What’s the chloro[4-(ethanesulfonyl)phenyl]methanamine’s molar mass?
233.71508 g/mol
What’s the SMILES structure of chloro[4-(ethanesulfonyl)phenyl]methanamine?
CCS(=O)(=O)c1ccc(cc1)C(N)Cl
What’s the InChI code of chloro[4-(ethanesulfonyl)phenyl]methanamine?
InChI=1S/C9H12ClNO2S/c1-2-14(12,13)8-5-3-7(4-6-8)9(10)11/h3-6,9H,2,11H2,1H3
What’s the InChIKey format of chloro[4-(ethanesulfonyl)phenyl]methanamine?
GXZGSRTVXUHALV-UHFFFAOYSA-N

14 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).