General Information of the Compound
Compound ID
CP0481940
Compound Name
2,4-dichloro-5-sulfamoylbenzamide
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Structure
Formula
C7H6Cl2N2O3S
Molecular Weight
269.109
Canonical SMILES
NC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
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InChI
InChI=1S/C7H6Cl2N2O3S/c8-4-2-5(9)6(15(11,13)14)1-3(4)7(10)12/h1-2H,(H2,10,12)(H2,11,13,14)
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InChIKey
IPRGYSAYIGOGMN-UHFFFAOYSA-N
Physicochemical Property
logP
0.7397
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
103.25
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
15

"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: 12698190
ChEMBL ID
CHEMBL4175740
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 = 132 nM
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