Structure & Deep Data of 4-[acetyl(methyl)amino]benzenesulfonyl chloride (C9H10ClNO3S)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 4-[acetyl(methyl)amino]benzenesulfonyl chloride molecule contains a total of 25 bond(s). There are 15 non-H bond(s), 9 multiple bond(s), 2 rotatable bond(s), 3 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 tertiary amide(s) (aliphatic), and 1 sulfone(s). Images of the chemical structure of 4-[acetyl(methyl)amino]benzenesulfonyl chloride are given below:

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

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Additional Information for Identifying 4-[acetyl(methyl)amino]benzenesulfonyl chloride Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 4-[acetyl(methyl)amino]benzenesulfonyl chloride

  The SMILES string of 4-[acetyl(methyl)amino]benzenesulfonyl chloride is CN(C(C)=O)c1ccc(cc1)S(Cl)(=O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 4-[acetyl(methyl)amino]benzenesulfonyl chloride.

• Structure Data File (SDF/MOL File) of 4-[acetyl(methyl)amino]benzenesulfonyl chloride

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

• Chemical formula of 4-[acetyl(methyl)amino]benzenesulfonyl chloride

  The molecular formula of 4-[acetyl(methyl)amino]benzenesulfonyl chloride is available in chemical formula page of 4-[acetyl(methyl)amino]benzenesulfonyl chloride, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 4-[acetyl(methyl)amino]benzenesulfonyl chloride

  The molecular weight of 4-[acetyl(methyl)amino]benzenesulfonyl chloride is available in molecular weight page of 4-[acetyl(methyl)amino]benzenesulfonyl chloride, 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 4-[acetyl(methyl)amino]benzenesulfonyl chloride

  The 4-[acetyl(methyl)amino]benzenesulfonyl chloride compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 4-[acetyl(methyl)amino]benzenesulfonyl chloride including the various registry numbers, if available:

  • 4-(N-acetyl-N-methylamino) benzenesulfonyl chloride
  • 4-(N-acetyl-N-methylamino)benzenesulfonyl chloride
  • Benzenesulfonyl chloride, 4-(acetylmethylamino)-
  • 4-[ethanoyl(methyl)amino]benzenesulfonyl chloride
  • AR-1F9799
  • EN300-91596
  • 4-[acetyl(methyl)amino]benzenesulfonyl chloride
  • 39169-92-1
  • A824438

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4-[acetyl(methyl)amino]benzenesulfonyl chloride Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 4-[acetyl(methyl)amino]benzenesulfonyl chloride?
C9H10ClNO3S
How many atoms and what are the elements included the 4-[acetyl(methyl)amino]benzenesulfonyl chloride molecule?
25 atom(s) - 10 Hydrogen atom(s), 9 Carbon atom(s), 1 Nitrogen atom(s), 3 Oxygen atom(s), 1 Sulfur atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are included the 4-[acetyl(methyl)amino]benzenesulfonyl chloride structure?
25 bond(s) - 15 non-H bond(s), 9 multiple bond(s), 2 rotatable bond(s), 3 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 tertiary amide(s) (aliphatic), and 1 sulfone(s)
What’s the 4-[acetyl(methyl)amino]benzenesulfonyl chloride’s molecular weight?
247.6986 g/mol
What’s the SMILES code of 4-[acetyl(methyl)amino]benzenesulfonyl chloride?
CN(C(C)=O)c1ccc(cc1)S(Cl)(=O)=O
What’s the InChI string of 4-[acetyl(methyl)amino]benzenesulfonyl chloride?
InChI=1S/C9H10ClNO3S/c1-7(12)11(2)8-3-5-9(6-4-8)15(10,13)14/h3-6H,1-2H3
What’s the InChIKey code of 4-[acetyl(methyl)amino]benzenesulfonyl chloride?
FJXBSNLZPGJSAT-UHFFFAOYSA-N

29 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).