Back to Search
N-Hydroxy-3-(3-Phenylsulfamoylphenyl)Acrylamide
CAS: 414864-00-9 | C15H14N2O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
414864-00-9
Molecular Formula:
C15H14N2O4S
Molecular Mass:
318.35 g/mol
Names and Synonyms:
N-Hydroxy-3-(3-Phenylsulfamoylphenyl)Acrylamide
2-Propenamide, N-hydroxy-3-[3-[(phenylamino)sulfonyl]phenyl]-
N-Hydroxy-3-[3-[(phenylamino)sulfonyl]phenyl]-2-propenamide
N-Hydroxy-3-(3-phenylsulfamoylphenyl)acrylamide
Identifiers:
SMILES:
O=S(=O)(Nc1ccccc1)c1cccc(C=CC(O)=NO)c1
InChI:
InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)
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 | 318.35 g/mol | CAS Common Chemistry |
| 318.35400000000004 g/mol | RDKit | |
| 318.067427928 g/mol | RDKit | |
| Canonical SMILES | O=C(C=CC1=CC=CC(=C1)S(=O)(=O)NC=2C=CC=CC2)NO | CAS Common Chemistry |
| InChI | InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18) | CAS Common Chemistry |
| InChI Key | InChIKey=NCNRHFGMJRPRSK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Hydroxy-3-(3-phenylsulfamoylphenyl)acrylamide | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 98.99000000000001 Ų | RDKit |
| LogP | 2.8463000000000003 | RDKit |
| Molar Refractivity | 84.57680000000003 | RDKit |
