4-[({[4-(acetylamino)phenyl]sulfonyl}amino)methyl]-N-(pyridin-2-ylmethyl)benzamide
Basic information
- CAS
1010928-65-0- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccccn3)cc2)cc1- InChIKey
BQWBPQKOBAMSPG-UHFFFAOYSA-N- Molecular formula
- C22H22N4O4S
- Average molar mass
- 438.5 g/mol
Names & identifiers
- Preferred name
- 4-[({[4-(acetylamino)phenyl]sulfonyl}amino)methyl]-N-(pyridin-2-ylmethyl)benzamide
- IUPAC
- 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
- English name
- 4-[({[4-(acetylamino)phenyl]sulfonyl}amino)methyl]-N-(pyridin-2-ylmethyl)benzamide
- Molecular formula
- C22H22N4O4S
- Molecular weight
- 438.5
Names & synonyms
4-[({[4-(acetylamino)phenyl]sulfonyl}amino)methyl]-N-(pyridin-2-ylmethyl)benzamide1010928-65-0STK718082AKOS0055344864-((4-acetamidophenylsulfonamido)methyl)-N-(pyridin-2-ylmethyl)benzamide4-[(4-ACETAMIDOBENZENESULFONAMIDO)METHYL]-N-[(PYRIDIN-2-YL)METHYL]BENZAMIDEBenzamide, 4-[[[[4-(acetylamino)phenyl]sulfonyl]amino]methyl]-N-(2-pyridinylmethyl)-
Database identifiers
- CAS
1010928-65-0
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 693
Physicochemical properties
- Density
- 1.336 · 1.336±0.06 g/cm3(Predicted)
- pka
- 11.06 · 11.06±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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