General Information of the Compound
Compound ID
CP0471755
Compound Name
N-benzyl-2,4-dichloro-5-sulfamoylbenzamide
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Structure
Formula
C14H12Cl2N2O3S
Molecular Weight
359.234
Canonical SMILES
NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1Cl
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InChI
InChI=1S/C14H12Cl2N2O3S/c15-11-7-12(16)13(22(17,20)21)6-10(11)14(19)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)(H2,17,20,21)
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InChIKey
RJDMKEUKPUTKRX-UHFFFAOYSA-N
Physicochemical Property
logP
2.5708
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
89.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 126507182
ChEMBL ID
CHEMBL4165570
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: PT01011, Carbonic anhydrase 9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  1
1
Kd = 90.9 nM
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