Basic information
- Standard SMILES
O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
VWKSVPJJPNTCFZ-UHFFFAOYSA-N- Molecular formula
- C22H12F9NO5S
- Average molar mass
- 573.4 g/mol
Overview
an inhibitor of 14-kDa phospholipase A2; structure given in first source (name/structure DISCREPANCY - trifluoromethylphenoxy- vs. trifluoromethylphenylmethyl-)
Names & identifiers
- Preferred name
- SB 203347
- IUPAC
- 2-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-(trifluoromethyl)phenoxy]benzoic acid
Names & synonyms
SB-203347SB 203347RefChem:181542169527-42-82-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-(trifluoromethyl)phenoxy]benzoic Acid2-[2-[3,5-Bis (trifluoromethyl)phenylsulfonamido]-4-trifluoromethylphenoxy]benzoic acidSCHEMBL5665013PLA2 inhibitor SB-203347SCHEMBL30410481VWKSVPJJPNTCFZ-UHFFFAOYSA-NGLXC-239942-[2-[3,5-Bis(trifluoromethyl)phenylsulfonamido]-4-trifluoromethylphenoxy]benzoic acid
Database identifiers
- PubChem CID
- 9808192
- Nikkaji
- J699.743K
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 909
Related reactions
4 records
Compound notes
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