Basic information
- Standard SMILES
CC1CN(c2ccc(Cl)c(NS(=O)(=O)c3ccc(Br)s3)c2)CC(C)N1- InChIKey
JNVYGZWFSQBTJC-UHFFFAOYSA-N- Molecular formula
- C16H19BrClN3O2S2
- Average molar mass
- 464.8 g/mol
Names & identifiers
- Preferred name
- 5-bromo-N-[2-chloro-5-(3,5-dimethylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
- IUPAC
- 5-bromo-N-[2-chloro-5-(3,5-dimethylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
Names & synonyms
SCHEMBL4802811
Database identifiers
- PubChem CID
- 69197350
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 552
Related reactions
1 records
Compound notes
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