Structure & Deep Data of 4-tert-Butylbenzenesulfonamide (C10H15NO2S)

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-tert-Butylbenzenesulfonamide molecule contains a total of 29 bond(s). There are 14 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 sulfonamide(s) (thio-/dithio-). Images of the chemical structure of 4-tert-Butylbenzenesulfonamide are given below:

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

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Additional Information for Identifying 4-tert-Butylbenzenesulfonamide Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 4-tert-Butylbenzenesulfonamide

  The SMILES string of 4-tert-Butylbenzenesulfonamide is CC(C)(C)c1ccc(cc1)S(N)(=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-tert-Butylbenzenesulfonamide.

• Structure Data File (SDF/MOL File) of 4-tert-Butylbenzenesulfonamide

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

• Chemical formula of 4-tert-Butylbenzenesulfonamide

  The molecular formula of 4-tert-Butylbenzenesulfonamide is available in chemical formula page of 4-tert-Butylbenzenesulfonamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 4-tert-Butylbenzenesulfonamide

  The molecular weight of 4-tert-Butylbenzenesulfonamide is available in molecular weight page of 4-tert-Butylbenzenesulfonamide, 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-tert-Butylbenzenesulfonamide

  The 4-tert-Butylbenzenesulfonamide 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-tert-Butylbenzenesulfonamide including the various registry numbers, if available:

  • F0808-2042
  • T6381752
  • J-516004
  • I01-6460
  • C-11255
  • AB00073666-01
  • S-1550
  • EN300-104409
  • W7489
  • B3837

  • SULFAMIDE,[4-(TERT-BUTYL)PHENYL]-
  • 4-tert-Butylbenzenesulphonamide, AldrichCPR
  • BBV-50067219
  • 4-(1,1-Dimethylethyl)benzenesulfonamide
  • RTC-020675
  • MFCD00068599
  • AR-1G4694
  • ANW-34453
  • CS-M1898
  • 4-(tert-butyl)benzenesulphonamide

  • (4-tert-butyl)benzenesulfonamide
  • 4-tert-butyl-benzenesulfonamide
  • p-tert-butylbenzenesulphonamide
  • p-tert-butylphenylsulfonamide
  • 4-tertbutylbenzenesulfonamide
  • 4-t-Butylbenzenesulphonamide
  • Cambridge id 5103993
  • 4-Tert-butyl benzene sulfonamide
  • P-tert-Butylbenzenesulfonamide
  • benzenesulfonamide, 4-(1,1-dimethylethyl)-

  • 4-tert-butylbenzenesulphonamide
  • 4-(tert-butyl)benzenesulfonamide
  • 6292-59-7
  • 4-tert-Butylbenzenesulfonamide

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4-tert-Butylbenzenesulfonamide Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 4-tert-Butylbenzenesulfonamide?
C10H15NO2S
How many atoms and what are the elements included the 4-tert-Butylbenzenesulfonamide molecule?
29 atom(s) - 15 Hydrogen atom(s), 10 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the 4-tert-Butylbenzenesulfonamide structure?
29 bond(s) - 14 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 sulfonamide(s) (thio-/dithio-)
What’s the 4-tert-Butylbenzenesulfonamide’s molecular weight?
213.2966 g/mol
What’s the SMILES code of 4-tert-Butylbenzenesulfonamide?
CC(C)(C)c1ccc(cc1)S(N)(=O)=O
What’s the InChI string of 4-tert-Butylbenzenesulfonamide?
InChI=1S/C10H15NO2S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H2,11,12,13)
What’s the InChIKey code of 4-tert-Butylbenzenesulfonamide?
KYDZEZNYRFJCSA-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).