General Information of the Compound
Compound ID
CP0049220
Compound Name
2-aminobenzene-1-sulfonamide
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Synonyms
2-Amino-benzenesulfonamide
2-aminobenzenesulfonamide
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Structure
Formula
C6H8N2O2S
Molecular Weight
172.209
Canonical SMILES
Nc1ccccc1S(N)(=O)=O
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InChI
InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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InChIKey
YAZSBRQTAHVVGE-UHFFFAOYSA-N
CAS
3306-62-5
Physicochemical Property
logP
-0.0838
Rotatable Bonds
1
Heavy Atom Count
11
Polar Areas
86.18
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
11

"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: 72894
SID: 15147180
ChEMBL ID
CHEMBL6705
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 = 553 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 553 nM
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 11220.2 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-Amino-benzenesulfonamide )
Drug Name 2-Amino-benzenesulfonamide
Target(s)
Carbonic anhydrase XII (CA-XII)
Inhibitor
Carbonic anhydrase XIV (CA-XIV)
Inhibitor
Carbonic anhydrase VI (CA-VI)
Inhibitor
Carbonic anhydrase IX (CA-IX)
Inhibitor
Carbonic anhydrase II (CA-II)
Inhibitor