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N-(Phenylsulfonyl)Benzenesulfonamide
CAS: 2618-96-4 | C12H11NO4S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2618-96-4
Molecular Formula:
C12H11NO4S2
Molecular Mass:
297.36 g/mol
Names and Synonyms:
N-(Phenylsulfonyl)Benzenesulfonamide
Benzenesulfonamide, N-(phenylsulfonyl)-
Dibenzenesulfonamide
N-(Phenylsulfonyl)benzenesulfonamide
Dibenzolsulfimide
Dibenzolsulfimid
Dibenzenesulfimide
Dibenzenesulfonic acid imide
Bis(phenylsulfonyl)amine
Dibenzenesulfonimide
Di(benzenesulfonyl)amine
Bis(phenylsulfonyl)imine
Bis(benzenesulfonyl)imide
Identifiers:
SMILES:
O=S(=O)(NS(=O)(=O)c1ccccc1)c1ccccc1
InChI:
InChI=1S/C12H11NO4S2/c14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12/h1-10,13H
Key Properties
Melting Point
270 °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 | 297.36 g/mol | CAS Common Chemistry |
| 297.357 g/mol | RDKit | |
| 297.01294983200006 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(NS(=O)(=O)C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H11NO4S2/c14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12/h1-10,13H | CAS Common Chemistry |
| InChI Key | InChIKey=OVQABVAKPIYHIG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 270 °C | CAS Common Chemistry |
| Name | N-(Phenylsulfonyl)benzenesulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 80.31 Ų | RDKit |
| LogP | 1.3537999999999997 | RDKit |
| Molar Refractivity | 70.39130000000003 | RDKit |
