Basic information
- Standard SMILES
Cc1ccc(NS(=O)(=O)CCc2ccc(Br)cc2)c(S(N)(=O)=O)c1- InChIKey
LGEWRKDNMAFFRB-UHFFFAOYSA-N- Molecular formula
- C15H17BrN2O4S2
- Average molar mass
- 433.3 g/mol
Names & identifiers
- Preferred name
- 2-[2-(4-Bromo-phenyl)-ethanesulfonylamino]-5-methyl-benzenesulfonamide
- IUPAC
- 2-[2-(4-bromophenyl)ethylsulfonylamino]-5-methylbenzenesulfonamide
Names & synonyms
SCHEMBL3769740CHEMBL3932167LGEWRKDNMAFFRB-UHFFFAOYSA-NBDBM181986US9145380, 1892-[2-(4-bromo-phenyl)-ethanesulfonylamino]-5-methyl-benzenesulfonamide
Database identifiers
- PubChem CID
- 57750964
- ChEMBL
CHEMBL3932167
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 604
Related reactions
3 records
Compound notes
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