Structure & Deep Data of Prosulfuron (C15H16F3N5O4S)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Prosulfuron molecule contains a total of 45 bond(s). There are 29 non-H bond(s), 15 multiple bond(s), 6 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 urea (-thio) derivative(s), 1 ether(s) (aromatic), and 1 sulfonamide(s) (thio-/dithio-). Images of the chemical structure of Prosulfuron are given below:

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

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Additional Information for Identifying Prosulfuron Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Prosulfuron

  The SMILES string of Prosulfuron is COc2nc(C)nc(NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F)n2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Prosulfuron.

• Structure Data File (SDF/MOL File) of Prosulfuron

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

• Chemical formula of Prosulfuron

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

• Molecular weight of Prosulfuron

  The molecular weight of Prosulfuron is available in molecular weight page of Prosulfuron, 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 Prosulfuron

  The Prosulfuron compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Prosulfuron including the various registry numbers, if available:

  • N-[2-(3,3,3-trifluoropropyl)-phenylsulfonyl]-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-urea
  • N-[2-(3,3,3-trifluoropropyl)-phenylsulfonyl]-N'(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-urea
  • 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenyl]sulfonylurea
  • I14-10590
  • Prosulfuron, PESTANAL(R), analytical standard
  • M857
  • AR-1B2141
  • KST-1B9576
  • NG7LE47J14
  • prosulfuron pestanal, 100 mg

  • prosulfuron (bsi, pa e-iso)
  • N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide
  • C15H16F3N5O4S
  • prosulphuron
  • peak
  • exceed
  • Benzenesulfonamide, N-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]-2-(3,3,3-trifluoropropyl)-
  • Benzenesulfonamide, N-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)-2-(3,3,3-trifluoropropyl)-
  • 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenyl]sulfonyl-urea
  • 99740-06-4

  • 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea
  • Prosulfuron [ISO]
  • 94125-34-5
  • Prosulfuron

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Prosulfuron Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Prosulfuron?
C15H16F3N5O4S
How many atoms and what are the elements included the Prosulfuron molecule?
44 atom(s) - 16 Hydrogen atom(s), 15 Carbon atom(s), 5 Nitrogen atom(s), 4 Oxygen atom(s), 1 Sulfur atom(s), and 3 Fluorine atom(s)
How many chemical bonds and what kind of bonds are included the Prosulfuron structure?
45 bond(s) - 29 non-H bond(s), 15 multiple bond(s), 6 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 urea (-thio) derivative(s), 1 ether(s) (aromatic), and 1 sulfonamide(s) (thio-/dithio-)
What’s the Prosulfuron’s molecular weight?
419.37885 g/mol
What’s the SMILES code of Prosulfuron?
COc2nc(C)nc(NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F)n2
What’s the InChI string of Prosulfuron?
InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)
What’s the InChIKey code of Prosulfuron?
LTUNNEGNEKBSEH-UHFFFAOYSA-N

39 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).