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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
Names and Synonyms:
4-(Morpholinosulfonyl)Aniline
Benzenamine, 4-(4-morpholinylsulfonyl)-
Morpholine, 4-sulfanilyl-
Morpholine, 4-[(4-aminophenyl)sulfonyl]-
4-(4-Morpholinylsulfonyl)benzenamine
Compound 82/208
4-(Morpholinosulfonyl)aniline
4-Aminophenyl morpholino sulfone
4-(4-Morpholinylsulfonyl)aniline
3-(Morpholine-4-sulfonyl)phenylamine
4-((4-Morpholine)sulfonyl)phenylamine
4-(Morpholin-4-ylsulfonyl)phenylamine
4-(4-Morpholinesulfonyl)aniline
Identifiers:
SMILES:
Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
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
Key Properties
Melting Point
217 °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 | 242.30 g/mol | CAS Common Chemistry |
| 242.29999999999995 g/mol | RDKit | |
| 242.072513308 g/mol | RDKit | |
| 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 |
| LogP | 0.28969999999999985 | RDKit |
| Molar Refractivity | 60.43220000000002 | RDKit |
