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1105192-54-8,MFCD16653154
Catalog No.:AA01AQK3
1105192-54-8 | 3-(2-([(4-METHOXYPHENYL)SULFONYL]AMINO)-1,3-THIAZOL-4-YL)PROPANOIC ACID
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Technical Information
Catalog Number:
AA01AQK3
Chemical Name:
3-(2-([(4-METHOXYPHENYL)SULFONYL]AMINO)-1,3-THIAZOL-4-YL)PROPANOIC ACID
CAS Number:
1105192-54-8
Molecular Formula:
C13H14N2O5S2
Molecular Weight:
342.3907
MDL Number:
MFCD16653154
IUPAC Name:
3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid
InChI:
InChI=1S/C13H14N2O5S2/c1-20-10-3-5-11(6-4-10)22(18,19)15-13-14-9(8-21-13)2-7-12(16)17/h3-6,8H,2,7H2,1H3,(H,14,15)(H,16,17)
InChI Key:
LUYUYNXNVLCHPX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)Nc1scc(n1)CCC(=O)O
Properties
Computed Properties
 
Complexity:
471  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.034g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
342.384g/mol
Monoisotopic Mass:
342.034g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
3-(2-{[(4-methoxyphenyl)sulfonyl]amino}-1,3-thiazol-4-yl)propanoic acid 
1105192-54-8 
ZINC26423692 
AKOS005206278 
MCULE-2786226886 
L-3909 
F2158-0479 
3-[2-(4-methoxybenzenesulfonamido)-1,3-thiazol-4-yl]propanoic acid 
N/A 
Literature
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