N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide
Basic information
- CAS
56768-71-9- Standard SMILES
CCOC(=S)c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1- InChIKey
ANUQHXGPSYTOTR-UHFFFAOYSA-N- Molecular formula
- C15H14BrNO3S2
- Average molar mass
- 400.3 g/mol
- Monoisotopic mass
- 398.95985
Names & identifiers
- Preferred name
- N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide
- IUPAC
- O-ethyl 4-[(3-bromophenyl)sulfamoyl]benzenecarbothioate
Names & synonyms
56768-71-9N-(3-BROMOPHENYL)-4-ETHOXYCARBOTHIOYL-BENZENESULFONAMIDENSC221607DTXSID90310029ZINC01756055NSC-221607O-Ethyl 4-[(3-bromophenyl)sulfamoyl]benzene-1-carbothioate
Database identifiers
- CAS
56768-71-9- PubChem CID
- 312261
- DTXSID
DTXSID90310029
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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