Back to Search
Molecule
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
Identifiers
CAS Registry Number
41472-49-5
SMILES
CC(O)=NCCc1ccc(S(N)(=O)=O)cc1
InChI Key
IIMGUEXQORZTID-UHFFFAOYSA-N
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)
Names and Synonyms
- N-[2-[4-(Aminosulfonyl)Phenyl]Ethyl]Acetamide Common Name
- Acetamide, N-[2-[4-(aminosulfonyl)phenyl]ethyl]- Synonym
- Acetamide, N-p-sulfamoylphenethyl- Synonym
- N-[2-[4-(Aminosulfonyl)phenyl]ethyl]acetamide Synonym
- N-(p-Sulfamoylphenethyl)acetamide Synonym
- 4-(2-Acetylaminoethyl)benzenesulfonamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 242.30 g/mol | CAS Common Chemistry |
| 242.29999999999998 g/mol | RDKit | |
| 242.3 g/mol | RDKit | |
| 242.293 g/mol | chempirical lib | |
| 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 |
| 0.8529 | RDKit | |
| Molar Refractivity | 62.12400000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 242.072513308 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 242.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14N2O3S.
