General Information of the Compound
Compound ID
CP0042709
Compound Name
4-amino-6-chlorobenzene-1,3-disulfonamide
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Synonyms
1,3-Benzenedisulfonamide, 4-amino-6-chloro-
121-30-2
3-Chloro-4,6-disulfamoylaniline
3A52O8YREJ
4-Amino-6-Chloro-1,3-Benzendisulfonamide
4-Amino-6-chloro-1,3-benzenedisulfonamide
4-Amino-6-chloro-m-benzenedisulfonamide
4-Amino-6-chlorobenzene-1,3-disulfonamide
4-Amino-6-chlorobenzene-1,3-disulphonamide
4-amino-6-chlorobenzene-1,3-disulfonamide
5-Chloro-2,4-disulfamoylaniline
5-Chloro-2,4-disulfamylaniline
CHEBI:3602
CHEMBL266240
Chloraminophenamide
Chloroaminophenamide
Idorese
Salmid
Su 5683
UNII-3A52O8YREJ
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Structure
Formula
C6H8ClN3O4S2
Molecular Weight
285.734
Canonical SMILES
Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
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InChI
InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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InChIKey
IHJCXVZDYSXXFT-UHFFFAOYSA-N
CAS
27907-29-5
121-30-2
Physicochemical Property
logP
-0.783
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
146.34
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
16

"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: 67136
SID: 14897810
ChEMBL ID
CHEMBL266240
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: PT00209, Carbonic anhydrase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 295 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 295 nM
Clinical Information about the Compound
Drug 1 ( 4-amino-6-chlorobenzene-1,3-disulfonamide )
Drug Name 4-amino-6-chlorobenzene-1,3-disulfonamide
Target(s)
Carbonic anhydrase VI (CA-VI)
Inhibitor
Carbonic anhydrase IX (CA-IX)
Inhibitor
Carbonic anhydrase I (CA-I)
Inhibitor
Carbonic anhydrase II (CA-II)
Inhibitor