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1020718-91-5,MFCD03425466
Catalog No.:AA0006FZ
1020718-91-5 | Acetamide, N-[4-[(2-thiazolylamino)sulfonyl]phenyl-2,3,5,6-d4]-
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Technical Information
Catalog Number:
AA0006FZ
Chemical Name:
Acetamide, N-[4-[(2-thiazolylamino)sulfonyl]phenyl-2,3,5,6-d4]-
CAS Number:
1020718-91-5
Molecular Formula:
C11H7D4N3O3S2
Molecular Weight:
301.3780
MDL Number:
MFCD03425466
IUPAC Name:
N-[2,3,5,6-tetradeuterio-4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
InChI:
InChI=1S/C11H11N3O3S2/c1-8(15)13-9-2-4-10(5-3-9)19(16,17)14-11-12-6-7-18-11/h2-7H,1H3,(H,12,14)(H,13,15)/i2D,3D,4D,5D
InChI Key:
KXNXWINFSDKMHD-QFFDRWTDSA-N
SMILES:
CC(=O)Nc1c([2H])c([2H])c(c(c1[2H])[2H])S(=O)(=O)Nc1nccs1
Properties
Computed Properties
 
Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.049g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
4  
Molecular Weight:
301.371g/mol
Monoisotopic Mass:
301.049g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

Synonyms
 
N-Acetylsulfathiazole-d4 
1020718-91-5 
N-{4-[(1,3-Thiazol-2-yl)sulfamoyl](~2~H_4_)phenyl}acetamide 
N-Acetylsulfathiazole D4 
CS-T-47399 
CTK8G1570 
DTXSID20670103 
N-Acetylsulfathiazole-d4 (Major) 
AKOS030240996 
FT-0661372 
J-000568 
Acetamide, N-[4-[(2-thiazolylamino)sulfonyl]phenyl-2,3,5,6-d4]- 
N-[4-[(2-Thiazolylamino)sulfonyl]phenyl-2,3,5,6-d4]acetamide 
Literature
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