Basic information
- CAS
478261-07-3- Standard SMILES
O=S(=O)(NCc1ccccc1)NCc1ccc(Cl)cc1Cl- InChIKey
BQFYWPCNCGBJKS-UHFFFAOYSA-N- Molecular formula
- C14H14Cl2N2O2S
- Average molar mass
- 345.2 g/mol
- Monoisotopic mass
- 344.0153043
Names & identifiers
- Preferred name
- N-benzyl-N'-(2,4-dichlorobenzyl)sulfamide
- IUPAC
- N-[(2,4-dichlorophenyl)methylsulfamoyl]-1-phenylmethanamine
- English name
- N-BENZYL-N'-(2,4-DICHLOROBENZYL)SULFAMIDE
- Molecular formula
- C14H14Cl2N2O2S
- Molecular weight
- 345.24
Names & synonyms
N-benzyl-N'-(2,4-dichlorobenzyl)sulfamide478261-07-3(benzylsulfamoyl)[(2,4-dichlorophenyl)methyl]amineN-[(2,4-dichlorophenyl)methylsulfamoyl]-1-phenylmethanamineMLS001165214CHEMBL1369260HMS2866L05AKOS005104516SMR0005497389L-029Sulfamide, N-[(2,4-dichlorophenyl)methyl]-N'-(phenylmethyl)-
Database identifiers
- CAS
478261-07-3- PubChem CID
- 1488549
- ChEMBL
CHEMBL1369260
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Boiling point
- 500.4 · 500.4±60.0 °C(Predicted)
- Density
- 1.406 · 1.406±0.06 g/cm3(Predicted)
- pka
- 10.06 · 10.06±0.40(Predicted)
Chemistry & industry
Suppliers4 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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