About N-benzylmorpholine-4-sulfonamide
N-benzylmorpholine-4-sulfonamide (PubChem CID 2991918) has the molecular formula C11H16N2O3S
and a molecular weight of 256.33 g/mol. Its IUPAC name is N-benzylmorpholine-4-sulfonamide.
Molecular Properties
| Compound Name | N-benzylmorpholine-4-sulfonamide |
| PubChem CID | 2991918 |
| Molecular Formula | C11H16N2O3S |
| Molecular Weight | 256.33 g/mol |
| Exact Mass | 256.09 |
| IUPAC Name | N-benzylmorpholine-4-sulfonamide |
| SMILES | O=S(=O)(NCc1ccccc1)N1CCOCC1 |
| InChI | InChI=1S/C11H16N2O3S/c14-17(15,13-6-8-16-9-7-13)12-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2 |
| InChIKey | GZSBVLGNWOCXLC-UHFFFAOYSA-N |
| XLogP | 0.35 |
| TPSA | 58.64 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 256.33 |
| LogP ≤ 5 | 0.35 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-benzylmorpholine-4-sulfonamide?
The IUPAC name of N-benzylmorpholine-4-sulfonamide (CID 2991918) is N-benzylmorpholine-4-sulfonamide.
What is the SMILES notation for N-benzylmorpholine-4-sulfonamide?
The canonical SMILES for N-benzylmorpholine-4-sulfonamide is O=S(=O)(NCc1ccccc1)N1CCOCC1.
What is the InChIKey of N-benzylmorpholine-4-sulfonamide?
The InChIKey is GZSBVLGNWOCXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c14-17(15,13-6-8-16-9-7-13)12-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of N-benzylmorpholine-4-sulfonamide?
N-benzylmorpholine-4-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylmorpholine-4-sulfonamide is sourced from PubChem (CID 2991918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).