General Information of the Compound
Compound ID
CP0461731
Compound Name
N-(4-methylphenyl)sulfonylbenzamide
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Structure
Formula
C14H13NO3S
Molecular Weight
275.329
Canonical SMILES
Cc1ccc(cc1)S(=O)(=O)NC(=O)c1ccccc1
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InChI
InChI=1S/C14H13NO3S/c1-11-7-9-13(10-8-11)19(17,18)15-14(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)
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InChIKey
SGJFNRQZMRIAJP-UHFFFAOYSA-N
CAS
6971-74-0
Physicochemical Property
logP
2.11372
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
63.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 81439
SID: 16109410
ChEMBL ID
CHEMBL241150
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
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