Back to Search
Penoxsulam
CAS: 219714-96-2 | C16H14F5N5O5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
219714-96-2
Molecular Formula:
C16H14F5N5O5S
Molecular Mass:
483.38 g/mol
Names and Synonyms:
Penoxsulam
Benzenesulfonamide, 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)-
2-(2,2-Difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
Penoxsulam
Granite
DASH 001
Ricer 240SC
Granite SC
Grasp
Grasp (benzenesulfonamide)
Grasp EC
Clipper
Clipper (benzenesulfonamide)
Clipper 20OD
Ricer
Granite (herbicide)
Viper
Rainbow 25OD
Identifiers:
SMILES:
COc1cnc(OC)n2nc(NS(=O)(=O)c3c(OCC(F)F)cccc3C(F)(F)F)nc12
InChI:
InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)
Key Properties
Melting Point
223-224 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 483.38 g/mol | CAS Common Chemistry |
| 483.3750000000001 g/mol | RDKit | |
| 483.063580648 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(NC=1N=C2C(OC)=CN=C(OC)N2N1)C=3C(OCC(F)F)=CC=CC3C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25) | CAS Common Chemistry |
| InChI Key | InChIKey=SYJGKVOENHZYMQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 223-224 °C | CAS Common Chemistry |
| Name | Penoxsulam | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 116.94 Ų | RDKit |
| LogP | 2.6050000000000004 | RDKit |
| Molar Refractivity | 97.63750000000003 | RDKit |
