Back to Search
Molecule
4-(Morpholinosulfonyl)Aniline
CAS: 21626-70-0 · C10H14N2O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 21626-70-0
- Molecular Formula
- C10H14N2O3S
- Molecular Mass
- 242.30 g/mol
Identifiers
CAS Registry Number
21626-70-0
SMILES
Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChI Key
FTKHPQFFQRKOJC-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N2O3S/c11-9-1-3-10(4-2-9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8,11H2
Names and Synonyms
- 4-(Morpholinosulfonyl)Aniline Synonym
- Benzenamine, 4-(4-morpholinylsulfonyl)- Synonym
- Morpholine, 4-sulfanilyl- Synonym
- Morpholine, 4-[(4-aminophenyl)sulfonyl]- Synonym
- 4-(4-Morpholinylsulfonyl)benzenamine Synonym
- Compound 82/208 Synonym
- 4-(Morpholinosulfonyl)aniline Synonym
- 4-Aminophenyl morpholino sulfone Synonym
- 4-(4-Morpholinylsulfonyl)aniline Synonym
- 3-(Morpholine-4-sulfonyl)phenylamine Synonym
- 4-((4-Morpholine)sulfonyl)phenylamine Synonym
- 4-(Morpholin-4-ylsulfonyl)phenylamine Synonym
- 4-(4-Morpholinesulfonyl)aniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 242.30 g/mol | CAS Common Chemistry |
| 242.29999999999995 g/mol | RDKit | |
| 242.3 g/mol | RDKit | |
| 242.293 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(C1=CC=C(N)C=C1)N2CCOCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H14N2O3S/c11-9-1-3-10(4-2-9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FTKHPQFFQRKOJC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 217 °C | CAS Common Chemistry |
| Name | 4-(Morpholinosulfonyl)aniline | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 72.63000000000001 Ų | RDKit |
| 72.63 Ų | RDKit | |
| LogP | 0.28969999999999985 | RDKit |
| 0.2897 | RDKit | |
| Molar Refractivity | 60.43220000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | 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.
