Basic information
- Standard SMILES
COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc3c(-c4ccc(C(F)(F)F)cc4Br)cccc3c2)c(OC)c1- InChIKey
QMGPELLDYFWDNK-UHFFFAOYSA-N- Molecular formula
- C28H21BrF3N3O4S2
- Average molar mass
- 664.5 g/mol
Names & identifiers
- Preferred name
- 5-(2-bromo-4-(trifluoromethyl)phenyl)-N-(2,4-dimethoxybenzyl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
- IUPAC
- 5-[2-bromo-4-(trifluoromethyl)phenyl]-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
Names & synonyms
5-(2-bromo-4-(trifluoromethyl)phenyl)-N-(2,4-dimethoxybenzyl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamideSCHEMBL15011033
Database identifiers
- PubChem CID
- 86687342
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 974
Related reactions
2 records
Compound notes
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