Basic information
- Standard SMILES
CC(C)(C)OC(=O)c1c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCC2- InChIKey
RWBFJNOXCNOFFT-UHFFFAOYSA-N- Molecular formula
- C19H21Cl2NO4S2
- Average molar mass
- 462.4 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 2-(3,4-dichlorophenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]-thiophene-3-carboxylate
- IUPAC
- tert-butyl 2-[(3,4-dichlorophenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Names & synonyms
RWBFJNOXCNOFFT-UHFFFAOYSA-Ntert-Butyl 2-(3,4-dichlorophenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]-thiophene-3-carboxylatetert-Butyl 2-(3,4-dichlorophenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Database identifiers
- PubChem CID
- 86625455
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 676
Related reactions
4 records
Compound notes
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