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
    4.2052   -0.2530   -0.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8554   -0.7722   -0.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7490   -2.0443   -0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7586    0.1903   -0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0044    1.3720   -0.6807 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4183   -0.1289   -0.0816 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7047    0.6991   -0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7382    2.0271   -0.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9027    2.8072   -0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0836    2.1952    0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0950    0.8534    0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9382    0.1125    0.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0046   -1.6137    0.6639 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.1552   -1.9516    1.8416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241   -2.4211   -0.5610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5877   -2.0259    1.0338 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0079   -0.9676   -0.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2376   -0.0032   -1.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3790    0.6896   -0.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -2.4477    0.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6187   -2.6670   -0.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2884   -1.1636    0.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1706    2.5293   -0.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8335    3.8639   -0.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0137    2.7625    0.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0452    0.3832    0.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7527   -2.0254    2.0148 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