General Information of the Compound
Compound ID
CP0076367
Compound Name
N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide
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Synonyms
4'-(1-Hydroxy-2-(isopropylamino)ethyl)methane sulfonanilide
4'-(1-Hydroxy-2-isopropylaminoethyl)methanesulfonanilid
Beta-Cardone
Betapace (TN)
Betapace AF (TN)
D,l-Sotalol
Darob mite
Darob mite (TN)
MJ-1999
Methanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)phenyl)-(9CI)
N-(4-{1-hydroxy-2-[(1-methylethyl)amino]ethyl}phenyl)methanesulfonamide
N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide
N-{4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl}methanesulfonamide
Sotacor (TN)
Sotalex (TN)
Sotalol
Sotalol (INN)
Sotalol Monohydrochloride
Sotalol [INN:BAN]
Sotalolum
Sotalolum [INN-Latin]
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Structure
Formula
C12H20N2O3S
Molecular Weight
272.37
Canonical SMILES
CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
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InChI
InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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InChIKey
ZBMZVLHSJCTVON-UHFFFAOYSA-N
CAS
27948-47-6
3930-20-9
Physicochemical Property
logP
1.0895
Rotatable Bonds
6
Heavy Atom Count
18
Polar Areas
78.43
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 5253
SID: 14775037
ChEMBL ID
CHEMBL471
DrugBank ID
DB00489
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 12436.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT06796, POU domain, class 2, transcription factor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Km = 195900 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Sotalol )
Drug Name Sotalol
Company Bristol-Myers Squibb
Indication
Sinus rhythm disorder
Approved
Target(s)
Adrenergic receptor beta-1 (ADRB1)
Antagonist