Basic information
- CAS
477862-07-0- Standard SMILES
NS(=O)(=O)c1ccc(CCNc2ncnc3cc(Cl)ccc23)cc1- InChIKey
HSXHYLWTMVQMHH-UHFFFAOYSA-N- Molecular formula
- C16H15ClN4O2S
- Average molar mass
- 362.8 g/mol
Names & identifiers
- Preferred name
- 4-{2-[(7-Chloro-4-quinazolinyl)amino]ethyl}benzenesulfonamide
- IUPAC
- 4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]benzenesulfonamide
- English name
- 4-(2-[(7-Chloro-4-quinazolinyl)amino]ethyl)benzenesulfonamide
- Molecular formula
- C16H15ClN4O2S
- Molecular weight
- 362.83
Names & synonyms
4-{2-[(7-chloro-4-quinazolinyl)amino]ethyl}benzenesulfonamide477862-07-04-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]benzenesulfonamideOprea1_786430AKOS00508115312N-8414-{2-[(7-chloroquinazolin-4-yl)amino]ethyl}benzene-1-sulfonamide4-(2-[(7-Chloro-4-quinazolinyl)amino]ethyl)benzenesulfonamideBenzenesulfonamide, 4-[2-[(7-chloro-4-quinazolinyl)amino]ethyl]-
Database identifiers
- CAS
477862-07-0
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- Boiling point
- 625.7 · 625.7±65.0 °C(Predicted)
- Density
- 1.465 · 1.465±0.06 g/cm3(Predicted)
- pka
- 10.15 · 10.15±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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