General Information of the Compound
Compound ID
CP0485982
Compound Name
N-(2-acetylphenyl)-N,4-dimethylbenzenesulfonamide
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Structure
Formula
C16H17NO3S
Molecular Weight
303.383
Canonical SMILES
CN(c1ccccc1C(C)=O)S(=O)(=O)c1ccc(C)cc1
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InChI
InChI=1S/C16H17NO3S/c1-12-8-10-14(11-9-12)21(19,20)17(3)16-7-5-4-6-15(16)13(2)18/h4-11H,1-3H3
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InChIKey
MYJJKCNSCDQVQH-UHFFFAOYSA-N
Physicochemical Property
logP
3.02272
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
54.45
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 12473171
ChEMBL ID
CHEMBL611350
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: PT02772, C5a anaphylatoxin chemotactic receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 > 60000 nM
   TI
   LI
   LO
   TS
2
IC50 > 60000 nM
   TI
   LI
   LO
   TS