Basic information
- CAS
339275-87-5- Standard SMILES
O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1- InChIKey
GGQIWSPINVQSBS-UHFFFAOYSA-N- Molecular formula
- C15H13Cl2NO3S
- Average molar mass
- 358.2 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-N-(2-((4-chlorophenyl)sulfonyl)ethyl)benzenecarboxamide
- IUPAC
- 3-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]benzamide
- English name
- 3-Chloro-N-(2-[(4-chlorophenyl)sulfonyl]ethyl)benzenecarboxamide
- Molecular formula
- C15H13Cl2NO3S
- Molecular weight
- 358.24
Names & synonyms
3-Chloro-N-(2-((4-chlorophenyl)sulfonyl)ethyl)benzenecarboxamide3-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]benzamide339275-87-5Oprea1_495108AKOS0050901144J-601S3-chloro-N-[2-(4-chlorobenzenesulfonyl)ethyl]benzamideBenzamide, 3-chloro-N-[2-[(4-chlorophenyl)sulfonyl]ethyl]-3-Chloro-N-(2-[(4-chlorophenyl)sulfonyl]ethyl)benzenecarboxamide
Database identifiers
- CAS
339275-87-5
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 470
Physicochemical properties
- Boiling point
- 578.4 · 578.4±50.0 °C(Predicted)
- Density
- 1.397 · 1.397±0.06 g/cm3(Predicted)
- pka
- 13.02 · 13.02±0.46(Predicted)
Chemistry & industry
Suppliers5 total
Carbone Scientific CO., LTD[email protected]
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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