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N-Fluorobenzenesulfonimide
CAS: 133745-75-2 | C12H10FNO4S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
133745-75-2
Molecular Formula:
C12H10FNO4S2
Molecular Mass:
315.35 g/mol
Names and Synonyms:
N-Fluorobenzenesulfonimide
Benzenesulfonamide, N-fluoro-N-(phenylsulfonyl)-
N-Fluoro-N-(phenylsulfonyl)benzenesulfonamide
N-Fluorobis(phenylsulfonyl)amine
N-Fluorodibenzenesulfonimide
N-Fluorobenzenesulfonimide
Accufluor NFSi
NFSI
N-Fluoro-N-(benzenesulfonyl)benzenesulfonamide
N-Phenylsulfonyl-N-fluorobenzenesulfonamide
Fluorobis(phenylsulfonyl)amine
Identifiers:
SMILES:
O=S(=O)(c1ccccc1)N(F)S(=O)(=O)c1ccccc1
InChI:
InChI=1S/C12H10FNO4S2/c13-14(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H
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 | 315.35 g/mol | CAS Common Chemistry |
| 315.347 g/mol | RDKit | |
| 315.00352802000003 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(C=1C=CC=CC1)N(F)S(=O)(=O)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10FNO4S2/c13-14(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=RLKHFSNWQCZBDC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Fluorobenzenesulfonimide | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 71.52000000000001 Ų | RDKit |
| LogP | 1.9507 | RDKit |
| Molar Refractivity | 70.20260000000003 | RDKit |
