General Information of the Compound
Compound ID
CP0508235
Compound Name
4-[benzyl-(3-chloropyridin-2-yl)sulfamoyl]benzoic acid
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Structure
Formula
C19H15ClN2O4S
Molecular Weight
402.859
Canonical SMILES
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ncccc1Cl
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InChI
InChI=1S/C19H15ClN2O4S/c20-17-7-4-12-21-18(17)22(13-14-5-2-1-3-6-14)27(25,26)16-10-8-15(9-11-16)19(23)24/h1-12H,13H2,(H,23,24)
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InChIKey
IACXMQOTFFSZDU-UHFFFAOYSA-N
Physicochemical Property
logP
3.8287
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
87.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 66600938
ChEMBL ID
CHEMBL3353578
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: PT03065, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 9859 nM
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