Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

1O3

Summary
Name:2-{[(4-bromo-2-fluorophenyl)sulfonyl]amino}-5-phenoxybenzoic acid
Formula:C19 H13 Br F N O5 S
Formal charge:0
Formula weight:466.278 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{[(4-bromo-2-fluorophenyl)sulfonyl]amino}-5-phenoxybenzoic acid
OpenEye OEToolkits1.7.62-[(4-bromanyl-2-fluoranyl-phenyl)sulfonylamino]-5-phenoxy-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1c(F)cc(Br)cc1)Nc3ccc(Oc2ccccc2)cc3C(=O)O
InChIInChI1.03InChI=1S/C19H13BrFNO5S/c20-12-6-9-18(16(21)10-12)28(25,26)22-17-8-7-14(11-15(17)19(23)24)27-13-4-2-1-3-5-13/h1-11,22H,(H,23,24)
InChIKeyInChI1.03ONNNBBBPFLLYHY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370OC(=O)c1cc(Oc2ccccc2)ccc1N[S](=O)(=O)c3ccc(Br)cc3F
SMILESCACTVS3.370OC(=O)c1cc(Oc2ccccc2)ccc1N[S](=O)(=O)c3ccc(Br)cc3F
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)Oc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc(cc3F)Br
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)Oc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc(cc3F)Br

225946

PDB entries from 2024-10-09

PDB statisticsPDBj update infoContact PDBjnumon