General Information of the Compound
Compound ID
CP0037928
Compound Name
4-(aminomethyl)benzene-1-sulfonamide
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Synonyms
Mafenide acetate
138-39-6
4-(Aminomethyl)benzenesulfonamide
4-(aminomethyl)benzene-1-sulfonamide
4-(aminosulfonyl)benzylamine
4-Aminomethylbenzenesulfonamide
4-Homosulfanilamide
4-sulfamoylbenzylamine
Ambamide
Bensulfamide
Benzamsulfonamide
Benzenesulfonamide, 4-(aminomethyl)-
Emilene
Homonal
Homosul
Homosulfaminum
Homosulfanilamide
MAFENIDE
Mafenida [INN-Spanish]
Mafenide
Mafenidum [INN-Latin]
Malfamin
Maphenid
Maphenide
Marprontil
Mesudin
Mesudrin
Neofamid
Paramenyl
Septicid
Sulfamylon
mafenide
p-(Aminomethyl)benzenesulfonamide
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Structure
Formula
C7H10N2O2S
Molecular Weight
186.236
Canonical SMILES
NCc1ccc(cc1)S(N)(=O)=O
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InChI
InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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InChIKey
TYMRLRRVMHJFTF-UHFFFAOYSA-N
CAS
138-39-6
Physicochemical Property
logP
-0.2073
Rotatable Bonds
2
Heavy Atom Count
12
Polar Areas
86.18
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
12

"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: 3998
SID: 15322181
ChEMBL ID
CHEMBL419
DrugBank ID
DB06795
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 = 82.5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 82.5 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 ~ 5700.7 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Sulfamylon )
Drug Name Sulfamylon
Company Mylan Inc
Indication
Bacterial infection
Approved
Bacterial infection
Approved
Target(s)
Carbonic anhydrase IV (CA-IV)
Inhibitor
Carbonic anhydrase XIV (CA-XIV)
Inhibitor
Carbonic anhydrase VI (CA-VI)
Inhibitor
Carbonic anhydrase II (CA-II)
Inhibitor
Carbonic anhydrase XII (CA-XII)
Inhibitor