Basic information
- Standard SMILES
C[C@H](Oc1ccc(Cl)cc1-c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)O- InChIKey
KSVZIQPZNUTVLS-NSHDSACASA-N- Molecular formula
- C17H18ClNO5S
- Average molar mass
- 383.8 g/mol
Names & identifiers
- Preferred name
- [[5-Chloro-4'-[(dimethylamino)sulfonyl][1,1'-biphenyl]-2-yl]oxy]-(2s)-propanoic acid
- IUPAC
- (2S)-2-[4-chloro-2-[4-(dimethylsulfamoyl)phenyl]phenoxy]propanoic acid
Names & synonyms
SCHEMBL1690331KSVZIQPZNUTVLS-NSHDSACASA-N[[5-chloro-4'-[(dimethylamino)sulfonyl][1,1'-biphenyl]-2-yl]oxy]-(2s)-propanoic acid
Database identifiers
- PubChem CID
- 11429045
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 554
Related reactions
1 records
Compound notes
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