General Information of the Compound
Compound ID
CP0009872
Compound Name
4-amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide
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Synonyms
3-(p-Aminophenylsulfonamido)-5-methylisoxazole
3-(para-Aminophenylsulphonamido)-5-methylisoxazole
3-Sulfanilamido-5-methylisoxazole
3-Sulphanilamido-5-methylisoxazole
4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
4-Amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide
4-Amino-N-[5-methyl-3-isoxazolyl]benzenesulfonamide
4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide
5-Methyl-3-sulfanilamidoisoxazole
5-Methyl-3-sulfanylamidoisoxazole
5-Methyl-3-sulphanil-amidoisoxazole
723-46-6
ALBB-002089
Apo-Sulfamethoxazole
Azo-gantanol
Bactrim (TN)
Bactrimel
Gamazole
Gantanol
Gantanol-DS
MS 53
Metoxal
N'-(5-Methyl-3-isoxazole)sulfanilamide
N'-(5-Methyl-3-isoxazolyl)sulfanilamide
N'-(5-Methylisoxazol-3-yl)sulphanilamide
N(sup 1)-(5-Methyl-3-isoxazolyl)sulfanilamide
N(sup 1)-(5-Methyl-3-isoxazolyl)sulphanilamide
N(sup1)-(5-Methyl-3-isoxazolyl)sulfanilamide
N1-(5-Methyl-3-isoxazolyl)sulfanilamide
N1-(5-Methylisoxazol-3-yl)sulfanilamide
Radonil
Ro 4-2130
Ro 6-2580/11
Ro-4-2130
SMX
SULFAMETHOXAZOLE (8064-90-2 (TRIMETHOPRIM/SULFAMETHOXAZOLE)
Septra (TN)
Septran
Septrin (TN)
Simsinomin
Sinomin
Solfametossazolo
Solfametossazolo [DCIT]
Sulfamethalazole
Sulfamethoxazol
Sulfamethoxazole
Sulfamethoxazole (JP15/USP/INN)
Sulfamethoxazole [USAN:INN:JAN]
Sulfamethoxazole sodium
Sulfamethoxazolum
Sulfamethoxazolum [INN-Latin]
Sulfamethoxizole
Sulfamethylisoxazole
Sulfametoxazol
Sulfametoxazol [INN-Spanish]
Sulfanilamide, N1-(5-methyl-3-isoxazolyl)-(8CI)
Sulfisomezole
Sulpha-methoxizole
Sulphameth oxazole
Sulphamethalazole
Sulphamethoxazol
Sulphamethoxazole
Sulphamethoxazole BP 98
Sulphamethylisoxazole
Sulphisomezole
Trib
Urobak
sulfamethoxazole
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Structure
Formula
C10H11N3O3S
Molecular Weight
253.283
Canonical SMILES
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
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InChI
InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
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InChIKey
JLKIGFTWXXRPMT-UHFFFAOYSA-N
CAS
129378-89-8
723-46-6
Physicochemical Property
logP
1.36602
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
98.22
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
17

"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: 5329
SID: 14798729
ChEMBL ID
CHEMBL443
DrugBank ID
DB01015
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: PT01785, Endothelin-1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000139 A-10 Rattus norvegicus (Rat)  1
1
IC50 = 4000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Sulfamethoxazole )
Drug Name Sulfamethoxazole
Indication
Bacterial infection
Approved
Infection of P. falciparum
Investigative
Target(s)
Bacterial Dihydropteroate synthetase (Bact folP)
Inhibitor
Bacterial Dihydropteroate synthetase (Bact folP)
Inhibitor