General Information of the Compound
Compound ID
CP0041002
Compound Name
4-(2-aminoethyl)benzene-1-sulfonamide
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Synonyms
2-(4-sulfamoylphenyl)ethylamine
35303-76-5
4-(2-AMINOETHYL)BENZENESULFONAMIDE
4-(2-Amino-ethyl)-benzenesulfonamide
4-(2-Aminoethyl) Benzenesulfonamide
4-(2-Aminoethyl)benzene sulfonamide
4-(2-Aminoethyl)benzenesulfonamide
4-(2-Aminoethyl)benzenesulphonamide
4-(2-Aminoethyl)benzesulfonamide
4-(2-aminoethyl)-benzenesulfonamide hydrochloride
4-(2-aminoethyl)benzene-1-sulfonamide
4-aminoethylbenzenesulfonamide
Benzenesulfonamide, 4-(2-aminoethyl)-
CHEMBL7087
EINECS 252-501-0
FXNSVEQMUYPYJS-UHFFFAOYSA-N
MFCD00010301
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Structure
Formula
C8H12N2O2S
Molecular Weight
200.263
Canonical SMILES
NCCc1ccc(cc1)S(N)(=O)=O
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InChI
InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
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InChIKey
FXNSVEQMUYPYJS-UHFFFAOYSA-N
CAS
35303-76-5
Physicochemical Property
logP
-0.1648
Rotatable Bonds
3
Heavy Atom Count
13
Polar Areas
86.18
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
13

"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: 169682
SID: 14968921
ChEMBL ID
CHEMBL7087
DrugBank ID
DB08782
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 = 94.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 94.3 nM
Clinical Information about the Compound
Drug 1 ( 4-(2-AMINOETHYL)BENZENESULFONAMIDE )
Drug Name 4-(2-AMINOETHYL)BENZENESULFONAMIDE
Target(s)
Carbonic anhydrase XII (CA-XII)
 Target Info 
Inhibitor
Carbonic anhydrase IV (CA-IV)
 Target Info 
Inhibitor
Carbonic anhydrase I (CA-I)
 Target Info 
Inhibitor
Carbonic anhydrase IX (CA-IX)
 Target Info 
Inhibitor
Carbonic anhydrase XIV (CA-XIV)
 Target Info 
Inhibitor
Carbonic anhydrase II (CA-II)
 Target Info 
Inhibitor