SDF/Mol File of Benzenesulfonamide, N,N'-carbonylbis[4-methyl- (C15H16N2O5S2)
Identification of Benzenesulfonamide, N,N'-carbonylbis[4-methyl- Chemical Compound
| Chemical Formula | C15H16N2O5S2 |
|---|---|
| Molecular Weight | 368.42794 g/mol |
| IUPAC Name | 1,3-bis[(4-methylbenzene)sulfonyl]urea |
| SMILES String | Cc1ccc(cc1)S(=O)(=O)NC(=O)NS(=O)(=O)c2ccc(C)cc2 |
| InChI | InChI=1S/C15H16N2O5S2/c1-11-3-7-13(8-4-11)23(19,20)16-15(18)17-24(21,22)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,16,17,18) |
| InChIKey | YBLWHGQKHHKWRU-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of Benzenesulfonamide, N,N'-carbonylbis[4-methyl- is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of Benzenesulfonamide, N,N'-carbonylbis[4-methyl- molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Benzenesulfonamide, N,N'-carbonylbis[4-methyl- Molecule
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Chemical structure of Benzenesulfonamide, N,N'-carbonylbis[4-methyl-
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Benzenesulfonamide, N,N'-carbonylbis[4-methyl- is available in chemical structure page of Benzenesulfonamide, N,N'-carbonylbis[4-methyl-, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of Benzenesulfonamide, N,N'-carbonylbis[4-methyl-
The molecular weight of Benzenesulfonamide, N,N'-carbonylbis[4-methyl- is available in molecular weight page of Benzenesulfonamide, N,N'-carbonylbis[4-methyl-, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of Benzenesulfonamide, N,N'-carbonylbis[4-methyl-
The chemical formula of Benzenesulfonamide, N,N'-carbonylbis[4-methyl- is given in chemical formula page of Benzenesulfonamide, N,N'-carbonylbis[4-methyl-, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Benzenesulfonamide, N,N'-carbonylbis[4-methyl-
An alternative way of expressing structural information in text format is InChI. The full standard InChI of Benzenesulfonamide, N,N'-carbonylbis[4-methyl- is:
InChI=1S/C15H16N2O5S2/c1-11-3-7-13(8-4-11)23(19,20)16-15(18)17-24(21,22)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,16,17,18)
It can provide a standard way to encode the molecular information of Benzenesulfonamide, N,N'-carbonylbis[4-methyl- 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 Benzenesulfonamide, N,N'-carbonylbis[4-methyl- is:
InChIKey=YBLWHGQKHHKWRU-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Benzenesulfonamide, N,N'-carbonylbis[4-methyl-, but it needs to be linked to the full InChI to get back to the original structure of the Benzenesulfonamide, N,N'-carbonylbis[4-methyl- since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Benzenesulfonamide, N,N'-carbonylbis[4-methyl-
The Benzenesulfonamide, N,N'-carbonylbis[4-methyl- compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Benzenesulfonamide, N,N'-carbonylbis[4-methyl- including the registry numbers are listed below, if available:
- 1,3-Ditosylurea
- 5219-81-8
- Benzenesulfonamide, N,N'-carbonylbis[4-methyl-
Benzenesulfonamide, N,N'-carbonylbis[4-methyl- Identification Summary Frequently Asked Questions (FAQs)
| What’s the Benzenesulfonamide, N,N'-carbonylbis[4-methyl- formula? |
|---|
| C15H16N2O5S2 |
| How many atoms and what elements are included in the Benzenesulfonamide, N,N'-carbonylbis[4-methyl- molecule? |
| 40 atom(s) - 16 Hydrogen atom(s), 15 Carbon atom(s), 2 Nitrogen atom(s), 5 Oxygen atom(s), and 2 Sulfur atom(s) |
| How many chemical bonds and what kind of bonds are in the Benzenesulfonamide, N,N'-carbonylbis[4-methyl- structure? |
| 41 bond(s) - 25 non-H bond(s), 17 multiple bond(s), 4 rotatable bond(s), 5 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 urea (-thio) derivative(s), and 2 sulfonamide(s) (thio-/dithio-) |
| What’s the Benzenesulfonamide, N,N'-carbonylbis[4-methyl-’s molar mass? |
| 368.42794 g/mol |
| What’s the SMILES structure of Benzenesulfonamide, N,N'-carbonylbis[4-methyl-? |
| Cc1ccc(cc1)S(=O)(=O)NC(=O)NS(=O)(=O)c2ccc(C)cc2 |
| What’s the InChI code of Benzenesulfonamide, N,N'-carbonylbis[4-methyl-? |
| InChI=1S/C15H16N2O5S2/c1-11-3-7-13(8-4-11)23(19,20)16-15(18)17-24(21,22)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,16,17,18) |
| What’s the InChIKey format of Benzenesulfonamide, N,N'-carbonylbis[4-methyl-? |
| YBLWHGQKHHKWRU-UHFFFAOYSA-N |
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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).