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
    3.0987    1.2565   -1.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9708    0.4729    0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0402    0.2942    0.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6989   -0.1224    0.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6720   -0.7749    1.7024 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5128    0.0271   -0.0997 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7517   -0.4751    0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0579   -1.2202    1.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3468   -1.7040    1.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3693   -1.4348    0.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0783   -0.6889   -0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8099   -0.2229   -0.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859    0.7161   -2.0828 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.9948    2.0985   -1.7641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4723    0.0431   -2.9792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9127    0.8911   -2.9561 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7413    2.2852   -0.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4548    0.7791   -1.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1605    1.2836   -1.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0206    0.7111    0.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9735   -0.2710    1.8178 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6232    0.5988   -0.9975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3010   -1.4674    2.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5539   -2.2819    2.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3770   -1.7848    0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8970   -0.4887   -1.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5590    1.4798   -2.4952 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