General Information of the Compound
Compound ID
CP0211666
Compound Name
N-(benzenesulfonyl)benzamide
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Structure
Formula
C13H11NO3S
Molecular Weight
261.302
Canonical SMILES
O=C(NS(=O)(=O)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C13H11NO3S/c15-13(11-7-3-1-4-8-11)14-18(16,17)12-9-5-2-6-10-12/h1-10H,(H,14,15)
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InChIKey
ZBGWAJQUDSCDPB-UHFFFAOYSA-N
CAS
3559-04-4
Physicochemical Property
logP
1.8053
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
63.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 229604
SID: 16547138
ChEMBL ID
CHEMBL241149
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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
   TI
   LI
   LO
   TS