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BU6

Summary
Name:5-chloro-2-fluoro-N-[1-(4-piperidyl)pyrazol-4-yl]benzenesulfonamide
Formula:C14 H16 Cl F N4 O2 S
Formal charge:0
Formula weight:358.819 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-chloro-2-fluoro-N-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]benzenesulfonamide
OpenEye OEToolkits1.9.25-chloranyl-2-fluoranyl-N-(1-piperidin-4-ylpyrazol-4-yl)benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cc(c(F)cc1)S(=O)(=O)Nc2cn(nc2)C3CCNCC3
InChIInChI1.03InChI=1S/C14H16ClFN4O2S/c15-10-1-2-13(16)14(7-10)23(21,22)19-11-8-18-20(9-11)12-3-5-17-6-4-12/h1-2,7-9,12,17,19H,3-6H2
InChIKeyInChI1.03XMUAZEINLRUFHP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(Cl)cc1[S](=O)(=O)Nc2cnn(c2)C3CCNCC3
SMILESCACTVS3.385Fc1ccc(Cl)cc1[S](=O)(=O)Nc2cnn(c2)C3CCNCC3
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(c(cc1Cl)S(=O)(=O)Nc2cnn(c2)C3CCNCC3)F
SMILESOpenEye OEToolkits1.9.2c1cc(c(cc1Cl)S(=O)(=O)Nc2cnn(c2)C3CCNCC3)F

221051

PDB entries from 2024-06-12

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