Structure & Deep Data of Chloro[4-(ethanesulfonyl)phenyl]methanamine (C9H12ClNO2S)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The chloro[4-(ethanesulfonyl)phenyl]methanamine molecule contains a total of 26 bond(s). There are 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). Images of the chemical structure of chloro[4-(ethanesulfonyl)phenyl]methanamine are given below:

The 2D chemical structure image of chloro[4-(ethanesulfonyl)phenyl]methanamine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of chloro[4-(ethanesulfonyl)phenyl]methanamine 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 chloro[4-(ethanesulfonyl)phenyl]methanamine 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 chloro[4-(ethanesulfonyl)phenyl]methanamine. Download structure data file (SDF/MOL) file of this compound.

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

• SMILES (Simplified Molecular-Input Line-Entry System) string of chloro[4-(ethanesulfonyl)phenyl]methanamine

  The SMILES string of chloro[4-(ethanesulfonyl)phenyl]methanamine is CCS(=O)(=O)c1ccc(cc1)C(N)Cl, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the chloro[4-(ethanesulfonyl)phenyl]methanamine.

• Structure Data File (SDF/MOL File) of chloro[4-(ethanesulfonyl)phenyl]methanamine

  The structure data file (SDF/MOL File) of chloro[4-(ethanesulfonyl)phenyl]methanamine is available for download in the SDF page of chloro[4-(ethanesulfonyl)phenyl]methanamine, which provides the information about the atoms, bonds, connectivity and coordinates of chloro[4-(ethanesulfonyl)phenyl]methanamine. The chloro[4-(ethanesulfonyl)phenyl]methanamine structure data file can be imported to most of the cheminformatics software systems and applications.

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

  The molecular formula of chloro[4-(ethanesulfonyl)phenyl]methanamine is available 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.

• 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 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 chloro[4-(ethanesulfonyl)phenyl]methanamine

  The chloro[4-(ethanesulfonyl)phenyl]methanamine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of chloro[4-(ethanesulfonyl)phenyl]methanamine including the various registry numbers, if available:

  
  
  None available.

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

What’s the chemical formula of chloro[4-(ethanesulfonyl)phenyl]methanamine?
C9H12ClNO2S
How many atoms and what are the elements included 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 included 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 molecular weight?
233.71508 g/mol
What’s the SMILES code of chloro[4-(ethanesulfonyl)phenyl]methanamine?
CCS(=O)(=O)c1ccc(cc1)C(N)Cl
What’s the InChI string 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 code of chloro[4-(ethanesulfonyl)phenyl]methanamine?
GXZGSRTVXUHALV-UHFFFAOYSA-N

20 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).