General Information of the Compound
Compound ID
CP0035151
Compound Name
4-amino-N-[(4-sulfamoylphenyl)methyl]benzene-1-sulfonamide
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Synonyms
4-({[(4-aminophenyl)sulfonyl]amino}methyl)benzenesulfonamide
4-[[(4-aminophenyl)sulfonylamino]methyl]benzenesulfonamide
4-amino-N-(4-sulfamoylbenzyl)benzenesulfonamide
4-amino-N-[(4-sulfamoylphenyl)methyl]benzene-1-sulfonamide
AC1NA7ER
AKOS024362676
BDBM10871
Benzenesulfonamide, 4-amino-N-[[4-(aminosulfonyl)phenyl]methyl]-
CHEMBL266026
MCULE-5136189306
N-(4-Sulfamoylbenzyl)-4-aminobenzenesulfonamide
SCHEMBL3789773
ST50993685
ZINC6392199
aromatic/heteroaromatic sulfonamide 16
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Structure
Formula
C13H15N3O4S2
Molecular Weight
341.414
Canonical SMILES
Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O
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InChI
InChI=1S/C13H15N3O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18)
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InChIKey
HHCXOFYGBAPOJR-UHFFFAOYSA-N
Physicochemical Property
logP
0.3947
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
132.35
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
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: 4422372
SID: 15249705
ChEMBL ID
CHEMBL266026
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 29.8 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 29.8 nM
Clinical Information about the Compound
Drug 1 ( 4-amino-N-(4-sulfamoylbenzyl)benzenesulfonamide )
Drug Name 4-amino-N-(4-sulfamoylbenzyl)benzenesulfonamide
Target(s)
Carbonic anhydrase VI (CA-VI)
 Target Info 
Inhibitor
Carbonic anhydrase IX (CA-IX)
 Target Info 
Inhibitor
Carbonic anhydrase II (CA-II)
 Target Info 
Inhibitor
Carbonic anhydrase I (CA-I)
 Target Info 
Inhibitor