Monomers

o-Methacryloylaminobenzenesulfonic acid

Identifiers

IUPAC name
2-(2-methylprop-2-enoylamino)benzenesulfonic acid
InchI
InChI=1S/C10H11NO4S/c1-7(2)10(12)11-8-5-3-4-6-9(8)16(13,14)15/h3-6H,1H2,2H3,(H,11,12)(H,13,14,15)
InchI Key
JLCBSYHZAFNVSC-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)Nc1ccccc1S(=O)(=O)O
Canonical SMILES
CC(=C)C(=O)NC1=CC=CC=C1S(=O)(=O)O
Isomeric SMILES
CC(=C)C(=O)NC1=CC=CC=C1S(=O)(=O)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H11NO4S
Heavy Atom Count
16
Molecular Weight
241.268
Exact Molecular Weight
241.0409
Valence Electrons
86
Radical Electrons
0
tPSA
83.47
MolLogP
1.4479
H Bond Acceptors
3
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 27 27  0  0  0  0  0  0  0  0999 V2000
    4.2107   -0.4192    0.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9827    0.0071   -0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1024    0.6572   -1.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6893   -0.3277    0.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828   -0.9743    1.6021 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4457    0.0105   -0.0660 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8441   -0.2816    0.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1062   -0.9610    1.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3880   -1.2337    2.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4406   -0.7916    1.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2004   -0.1050    0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9434    0.1644   -0.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7117    1.0421   -1.8072 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.9944    0.2185   -2.8319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9584    2.3061   -1.6077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2203    1.4203   -2.4397 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5198    0.3495    1.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9861   -0.6341   -0.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9767   -1.3707    1.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0780    0.8849   -1.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2570    0.9881   -1.7472 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5147    0.5540   -0.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3047   -1.3312    2.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4929   -1.7759    3.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4432   -0.9992    1.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0672    0.2396   -0.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3305    2.3630   -2.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  2  0
 13 16  1  0
 12  7  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  3 20  1  0
  3 21  1  0
  6 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 16 27  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers