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N-[2-[4-(Aminosulfonyl)Phenyl]Ethyl]Acetamide
CAS: 41472-49-5 | C10H14N2O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
41472-49-5
Molecular Formula:
C10H14N2O3S
Molecular Mass:
242.30 g/mol
Names and Synonyms:
N-[2-[4-(Aminosulfonyl)Phenyl]Ethyl]Acetamide
Acetamide, N-[2-[4-(aminosulfonyl)phenyl]ethyl]-
Acetamide, N-p-sulfamoylphenethyl-
N-[2-[4-(Aminosulfonyl)phenyl]ethyl]acetamide
N-(p-Sulfamoylphenethyl)acetamide
4-(2-Acetylaminoethyl)benzenesulfonamide
Identifiers:
SMILES:
CC(O)=NCCc1ccc(S(N)(=O)=O)cc1
InChI:
InChI=1S/C10H14N2O3S/c1-8(13)12-7-6-9-2-4-10(5-3-9)16(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)(H2,11,14,15)
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 | 242.30 g/mol | CAS Common Chemistry |
| 242.29999999999998 g/mol | RDKit | |
| 242.072513308 g/mol | RDKit | |
| Canonical SMILES | O=C(NCCC1=CC=C(C=C1)S(=O)(=O)N)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H14N2O3S/c1-8(13)12-7-6-9-2-4-10(5-3-9)16(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)(H2,11,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=IIMGUEXQORZTID-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-[2-[4-(Aminosulfonyl)phenyl]ethyl]acetamide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 92.75 Ų | RDKit |
| LogP | 0.8528999999999999 | RDKit |
| Molar Refractivity | 62.12400000000003 | RDKit |
