Loading
PDBj
メニューPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

IOA

概要
表記:4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-BENZAMIDE
組成式:C14 H12 F2 N2 O3 S
電荷:0
化学式量:326.318 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.04N-(2,5-difluorobenzyl)-4-sulfamoylbenzamide
OpenEye OEToolkits1.5.0N-[(2,5-difluorophenyl)methyl]-4-sulfamoyl-benzamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04Fc1ccc(F)cc1CNC(=O)c2ccc(cc2)S(=O)(=O)N
SMILES_CANONICALCACTVS3.341N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cc(F)ccc2F
SMILESCACTVS3.341N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cc(F)ccc2F
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1C(=O)NCc2cc(ccc2F)F)S(=O)(=O)N
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C(=O)NCc2cc(ccc2F)F)S(=O)(=O)N
InChIInChI1.03InChI=1S/C14H12F2N2O3S/c15-11-3-6-13(16)10(7-11)8-18-14(19)9-1-4-12(5-2-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
InChIKeyInChI1.03KEGUALXMKQVDIO-UHFFFAOYSA-N

248636

件を2026-02-04に公開中

PDB statisticsPDBj update infoContact PDBjnumon