General Information of the Compound
Compound ID
CP0450881
Compound Name
N-(4-amino-3-methylphenyl)benzenesulfonamide
    Show/Hide
Structure
Formula
C13H14N2O2S
Molecular Weight
262.334
Canonical SMILES
Cc1cc(NS(=O)(=O)c2ccccc2)ccc1N
    Show/Hide
InChI
InChI=1S/C13H14N2O2S/c1-10-9-11(7-8-13(10)14)15-18(16,17)12-5-3-2-4-6-12/h2-9,15H,14H2,1H3
    Show/Hide
InChIKey
AXBUMSWYJVFITQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.37802
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
72.19
Hydrogen Bond Donor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 12954617
ChEMBL ID
CHEMBL4761616
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: PT02793, Free fatty acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 < 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04427, Free fatty acid receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 < 100000 nM
   TI
   LI
   LO
   TS