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Molecule
N-Hydroxy-3-(3-Phenylsulfamoylphenyl)Acrylamide
CAS: 414864-00-9 · C15H14N2O4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 414864-00-9
- Molecular Formula
- C15H14N2O4S
- Molecular Mass
- 318.35 g/mol
Identifiers
CAS Registry Number
414864-00-9
SMILES
O=S(=O)(Nc1ccccc1)c1cccc(C=CC(O)=NO)c1
InChI Key
NCNRHFGMJRPRSK-UHFFFAOYSA-N
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)
Names and Synonyms
- N-Hydroxy-3-(3-Phenylsulfamoylphenyl)Acrylamide Common Name
- 2-Propenamide, N-hydroxy-3-[3-[(phenylamino)sulfonyl]phenyl]- Synonym
- N-Hydroxy-3-[3-[(phenylamino)sulfonyl]phenyl]-2-propenamide Synonym
- N-Hydroxy-3-(3-phenylsulfamoylphenyl)acrylamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 318.35 g/mol | CAS Common Chemistry |
| 318.35400000000004 g/mol | RDKit | |
| 318.354 g/mol | RDKit | |
| 318.347 g/mol | chempirical lib | |
| 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 |
| 98.99 Ų | RDKit | |
| LogP | 2.8463000000000003 | RDKit |
| 2.8463 | RDKit | |
| Molar Refractivity | 84.57680000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 318.067427928 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 318.35 g/mol. Edit any field — others recompute live.
