Home Sulfos 5-(2-methanesulfonamidoethyl)thiophene-2-carboxylic acid

5-(2-methanesulfonamidoethyl)thiophene-2-carboxylic acid

CAS No.:
875157-42-9
Catalog Number:
AG019PGB
Molecular Formula:
C8H11NO4S2
Molecular Weight:
249.3072
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019PGB
Chemical Name:
5-(2-methanesulfonamidoethyl)thiophene-2-carboxylic acid
CAS Number:
875157-42-9
Molecular Formula:
C8H11NO4S2
Molecular Weight:
249.3072
MDL Number:
MFCD07838332
IUPAC Name:
5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylic acid
InChI:
InChI=1S/C8H11NO4S2/c1-15(12,13)9-5-4-6-2-3-7(14-6)8(10)11/h2-3,9H,4-5H2,1H3,(H,10,11)
InChI Key:
IZKPZAYMWQXUFE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(s1)CCNS(=O)(=O)C
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.013g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.299g/mol
Monoisotopic Mass:
249.013g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
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