General Information of the Compound
Compound ID
CP0039142
Compound Name
4-Amino-3-chlorobenzenesulfonamide
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Synonyms
4-Amino-3-chloro-benzenesulfonamide
4-amino-3-chlorobenzenesulfonamide
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Structure
Formula
C6H7ClN2O2S
Molecular Weight
206.654
Canonical SMILES
Nc1ccc(cc1Cl)S(N)(=O)=O
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InChI
InChI=1S/C6H7ClN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
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InChIKey
LFIOFZKZCDMGFG-UHFFFAOYSA-N
CAS
53297-68-0
Physicochemical Property
logP
0.5696
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
86.18
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
12

"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: 1502014
SID: 15042896
ChEMBL ID
CHEMBL7092
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 = 87.5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 87.5 nM
Clinical Information about the Compound
Drug 1 ( 4-Amino-3-chloro-benzenesulfonamide )
Drug Name 4-Amino-3-chloro-benzenesulfonamide
Target(s)
Carbonic anhydrase XII (CA-XII)
Inhibitor
Carbonic anhydrase IV (CA-IV)
Inhibitor
Carbonic anhydrase XIV (CA-XIV)
Inhibitor
Carbonic anhydrase IX (CA-IX)
Inhibitor
Carbonic anhydrase VI (CA-VI)
Inhibitor
Carbonic anhydrase II (CA-II)
Inhibitor
Carbonic anhydrase I (CA-I)
Inhibitor