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
    2.3994    3.3856   -0.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6186    2.3297    0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4905    2.3502    1.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0085    1.2862   -0.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1876    1.3513   -1.6497 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540    0.2502    0.1581 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3716   -0.7979   -0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3556   -0.9941   -1.8955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0086   -2.0725   -2.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6942   -2.9738   -1.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7244   -2.7992   -0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0924   -1.7575    0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1710   -1.5927    1.9236 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.1726   -1.7337    2.5415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0651   -2.6602    2.4839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8940   -0.1111    2.3365 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7490    4.2408   -0.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8452    2.9471   -1.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1653    3.8394    0.4001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9609    1.6593    2.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9753    3.1647    2.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1495    0.2646    1.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793   -0.2948   -2.5105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9453   -2.1528   -3.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1853   -3.7908   -2.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2748   -3.5265    0.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3736    0.1887    1.5268 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