N-methyl-N-(3-((2-oxo-2H-chromen-4-yl)amino)propyl)benzenesulfonamide
Completing data — refresh the page later to see the latest
Basic information
- CAS
1119446-68-2- Standard SMILES
CN(CCCNc1cc(=O)oc2ccccc12)S(=O)(=O)c1ccccc1- InChIKey
WXHCXMXSAUFPFQ-UHFFFAOYSA-N- Molecular formula
- C19H20N2O4S
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.1143783
Names & identifiers
- Preferred name
- N-methyl-N-(3-((2-oxo-2H-chromen-4-yl)amino)propyl)benzenesulfonamide
- IUPAC
- N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]benzenesulfonamide
- English name
- N-methyl-N-{3-[(2-oxo-2H-chromen-4-yl)amino]propyl}benzenesulfonamide
- Molecular formula
- C19H20N2O4S
- Molecular weight
- 372.44
Names & synonyms
N-methyl-N-(3-((2-oxo-2H-chromen-4-yl)amino)propyl)benzenesulfonamideN-methyl-N-{3-[(2-oxo-2H-chromen-4-yl)amino]propyl}benzenesulfonamideCHEMBL4091959STK913696AKOS005642854AO-365/43474738Benzenesulfonamide, N-methyl-N-[3-[(2-oxo-2H-1-benzopyran-4-yl)amino]propyl]-
Database identifiers
- CAS
1119446-68-2- PubChem CID
- 30343035
- ChEMBL
CHEMBL4091959
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 620
Physicochemical properties
- Boiling point
- 587.9 · 587.9±60.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 3.21 · 3.21±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…