SDF/Mol File of 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide (C16H26N2O4S2)
Identification of 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide Chemical Compound
![2D chemical structure image of 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide](http://static.molinstincts.com/compound_common/4-2-cyclopentylmethyl-sulfamoyl-ethyl-N-N-dimethylbenzene-1-2D-structure-CT1060638395.png)
| Chemical Formula | C16H26N2O4S2 |
|---|---|
| Molecular Weight | 374.51864 g/mol |
| IUPAC Name | 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide |
| SMILES String | CN(C)S(=O)(=O)c2ccc(CCS(=O)(=O)NCC1CCCC1)cc2 |
| InChI | InChI=1S/C16H26N2O4S2/c1-18(2)24(21,22)16-9-7-14(8-10-16)11-12-23(19,20)17-13-15-5-3-4-6-15/h7-10,15,17H,3-6,11-13H2,1-2H3 |
| InChIKey | DZXUEGZQFFJNPL-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide 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 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide 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.
![3D chemical structure image of 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide](http://static.molinstincts.com/compound_3d/4-2-cyclopentylmethyl-sulfamoyl-ethyl-N-N-dimethylbenzene-1-3D-structure-CT1060638395.png)
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide Molecule
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Chemical structure of 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide is available in chemical structure page of 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide, 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 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide
The molecular weight of 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide is available in molecular weight page of 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide, 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 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide
The chemical formula of 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide is given in chemical formula page of 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide, 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 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide is:
InChI=1S/C16H26N2O4S2/c1-18(2)24(21,22)16-9-7-14(8-10-16)11-12-23(19,20)17-13-15-5-3-4-6-15/h7-10,15,17H,3-6,11-13H2,1-2H3
It can provide a standard way to encode the molecular information of 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide 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 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide is:
InChIKey=DZXUEGZQFFJNPL-UHFFFAOYSA-N
The InChIKey may allow easier web searches for 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide, but it needs to be linked to the full InChI to get back to the original structure of the 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide
The 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide including the registry numbers are listed below, if available:
None available.
4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide Identification Summary Frequently Asked Questions (FAQs)
| What’s the 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide formula? |
|---|
| C16H26N2O4S2 |
| How many atoms and what elements are included in the 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide molecule? |
| 50 atom(s) - 26 Hydrogen atom(s), 16 Carbon atom(s), 2 Nitrogen atom(s), 4 Oxygen atom(s), and 2 Sulfur atom(s) |
| How many chemical bonds and what kind of bonds are in the 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide structure? |
| 51 bond(s) - 25 non-H bond(s), 10 multiple bond(s), 8 rotatable bond(s), 4 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), and 2 sulfonamide(s) (thio-/dithio-) |
| What’s the 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide’s molar mass? |
| 374.51864 g/mol |
| What’s the SMILES structure of 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide? |
| CN(C)S(=O)(=O)c2ccc(CCS(=O)(=O)NCC1CCCC1)cc2 |
| What’s the InChI code of 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide? |
| InChI=1S/C16H26N2O4S2/c1-18(2)24(21,22)16-9-7-14(8-10-16)11-12-23(19,20)17-13-15-5-3-4-6-15/h7-10,15,17H,3-6,11-13H2,1-2H3 |
| What’s the InChIKey format of 4-{2-[(cyclopentylmethyl)sulfamoyl]ethyl}-N,N-dimethylbenzene-1-sulfonamide? |
| DZXUEGZQFFJNPL-UHFFFAOYSA-N |
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).