Basic information
- Standard SMILES
Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)CO)cc3)ncnc2OCCOc2ncc(Br)cn2)cc1- InChIKey
YAWNVAQKVARTGQ-UHFFFAOYSA-N- Molecular formula
- C27H28BrN5O5S
- Average molar mass
- 614.5 g/mol
Names & identifiers
- Preferred name
- N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
- IUPAC
- N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
Names & synonyms
t-0201169679-53-2CHEMBL112624N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamideSCHEMBL892538orb1695125YAWNVAQKVARTGQ-UHFFFAOYSA-NBDBM50105051AKOS040754124T-0201, T0201, T 0201, TA 0201, TA0201, TA-0201N-(6-(2-((5-bromopyrimidin-2-yl)oxy)ethoxy)-5-(p-tolyl)pyrimidin-4-yl)-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamideT34762
Show more names
N-[6-{2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy}-5-(4-methylphenyl)-4-pyrimidinyl]-4-(2-hydroxy-1,1-dimethylethyl)benzenesulfonamideN-[6-{2-[(5-bromo-2-pyrimidinyl)oxy]ethoxyl}-5-(4-methylphenyl)-4-pyrimidinyl]-4-(2-hydroxy-1,1-dimethylethyl)benzenesulfonamideN-{6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-5-p-tolyl-pyrimidin-4-yl}-4-(2-hydroxy-1,1-dimethyl-ethyl)-benzenesulfonamide
Database identifiers
- PubChem CID
- 9852318
- ChEMBL
CHEMBL112624- Nikkaji
- J1.000.985E
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 838
Related reactions
1 records
Compound notes
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