General Information of the Compound
Compound ID
CP0095776
Compound Name
4-Benzenesulfonylamino-N-hydroxy-benzamide
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Synonyms
4-(Phenylsulfonylamino)benzohydroximic acid
4-Benzenesulfonylamino-N-hydroxy-benzamide
BDBM50105682
CHEMBL98345
N-hydroxy-4-(phenylsulfonamido)benzamide
SCHEMBL15480538
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Structure
Formula
C13H12N2O4S
Molecular Weight
292.316
Canonical SMILES
ONC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
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InChI
InChI=1S/C13H12N2O4S/c16-13(14-17)10-6-8-11(9-7-10)15-20(18,19)12-4-2-1-3-5-12/h1-9,15,17H,(H,14,16)
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InChIKey
ZSIKBIFOAPITGF-UHFFFAOYSA-N
Physicochemical Property
logP
1.6064
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
95.5
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
20

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 44328873
ChEMBL ID
CHEMBL98345
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000203 T24 Homo sapiens (Human)  1
1
EC50 = 5000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 900 nM
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
EC50 = 2000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-Benzenesulfonylamino-N-hydroxy-benzamide )
Drug Name 4-Benzenesulfonylamino-N-hydroxy-benzamide
Target(s)
Histone deacetylase 1 (HDAC1)
Inhibitor