General Information of the Compound
Compound ID
CP0284881
Compound Name
2,4-dichloro-5-sulfamoylbenzoic acid
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Synonyms
2,4-Dichloro-5-sulfamoyl-benzoic acid
2,4-Dichloro-5-sulfamoylbenzoic acid
2,4-Dichloro-5-sulfamylbenzoic acid
2,4-Dichloro-5-sulphamoylbenzoic acid
2,4-dichloro-5-sulfamoylbenzoic acid
2736-23-4
3-Sulfamoyl-4,6-dichlorobenzoic acid
5-(Aminosulfonyl)-2,4-dichlorobenzoic acid
5-Aminosulfonyl-2,4-dichlorobenzoic acid
5-Carboxy-2,4-dichlorobenzenesulfonamide
BENZOIC ACID, 2,4-DICHLORO-5-SULFAMOYL-
BRN 2219046
Benzoic acid, 5-(aminosulfonyl)-2,4-dichloro-
EINECS 220-358-3
LEG53TF0SN
Lasamide
M 12325
UNII-LEG53TF0SN
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Structure
Formula
C7H5Cl2NO4S
Molecular Weight
270.093
Canonical SMILES
NS(=O)(=O)c1cc(C(O)=O)c(Cl)cc1Cl
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InChI
InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
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InChIKey
ZSHHRBYVHTVRFK-UHFFFAOYSA-N
Physicochemical Property
logP
1.339
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
97.46
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: 17655
SID: 92756555
ChEMBL ID
CHEMBL120886
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F
 Cell Line Info 
Homo sapiens (Human)  1
1
Kd = 667 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2,4-dichloro-5-sulfamoylbenzoic acid )
Drug Name 2,4-dichloro-5-sulfamoylbenzoic acid
Target(s)
Carbonic anhydrase II (CA-II)
 Target Info 
Inhibitor
Carbonic anhydrase I (CA-I)
 Target Info 
Inhibitor