Basic information
- CAS
251097-10-6- Standard SMILES
O=C(Nc1ccc(Cl)cc1)c1sccc1S(=O)(=O)Cc1ccc(Cl)cc1- InChIKey
KBGSKFKJFBKJGI-UHFFFAOYSA-N- Molecular formula
- C18H13Cl2NO3S2
- Average molar mass
- 426.3 g/mol
- Monoisotopic mass
- 424.971391
Names & identifiers
- Preferred name
- 3-[(4-chlorobenzyl)sulfonyl]-N-(4-chlorophenyl)-2-thiophenecarboxamide
- IUPAC
- N-(4-chlorophenyl)-3-[(4-chlorophenyl)methylsulfonyl]thiophene-2-carboxamide
- English name
- 3-[(4-CHLOROBENZYL)SULFONYL]-N-(4-CHLOROPHENYL)-2-THIOPHENECARBOXAMIDE
- Molecular formula
- C18H13Cl2NO3S2
- Molecular weight
- 426.34
Names & synonyms
251097-10-63-[(4-chlorobenzyl)sulfonyl]-N-(4-chlorophenyl)-2-thiophenecarboxamideN-(4-chlorophenyl)-3-[(4-chlorophenyl)methanesulfonyl]thiophene-2-carboxamideN-(4-chlorophenyl)-3-[(4-chlorophenyl)methylsulfonyl]thiophene-2-carboxamideAKOS00507446710G-453S3-((4-Chlorobenzyl)sulfonyl)-N-(4-chlorophenyl)thiophene-2-carboxamide2-Thiophenecarboxamide, N-(4-chlorophenyl)-3-[[(4-chlorophenyl)methyl]sulfonyl]-
Database identifiers
- CAS
251097-10-6- PubChem CID
- 1480258
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 580
Physicochemical properties
- Boiling point
- 564.5 · 564.5±50.0 °C(Predicted)
- Density
- 1.5 · 1.500±0.06 g/cm3(Predicted)
- pka
- 10.15 · 10.15±0.70(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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