Home Carboxys 5-sulfamoylthiophene-3-carboxylic acid

5-sulfamoylthiophene-3-carboxylic acid

CAS No.:
875159-88-9
Catalog Number:
AG00IENF
Molecular Formula:
C5H5NO4S2
Molecular Weight:
207.2275
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Product Description
Catalog Number:
AG00IENF
Chemical Name:
5-sulfamoylthiophene-3-carboxylic acid
CAS Number:
875159-88-9
Molecular Formula:
C5H5NO4S2
Molecular Weight:
207.2275
MDL Number:
MFCD07838462
IUPAC Name:
5-sulfamoylthiophene-3-carboxylic acid
InChI:
InChI=1S/C5H5NO4S2/c6-12(9,10)4-1-3(2-11-4)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)
InChI Key:
VCKKTGHTBOTFEB-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc(c1)S(=O)(=O)N
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.966g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.218g/mol
Monoisotopic Mass:
206.966g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties