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
    3.0710   -1.1172   -0.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0236    0.2913   -0.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0891    1.0687   -0.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7285    0.8730    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6643    2.0643    0.3817 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5486    0.0962   -0.0285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7454    0.5331    0.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1038    1.7699    0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4187    2.1319    1.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4300    1.2101    0.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0955   -0.0464    0.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7918   -0.3958    0.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4283   -2.0131   -0.3011 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.8917   -1.9776   -1.7116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4416   -2.6841    0.6286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8641   -2.8951   -0.3333 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4638   -1.2077   -1.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0878   -1.4748   -0.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5285   -1.7740   -0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0661    0.6818   -0.6099 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0314    2.0923   -0.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6992   -0.9184   -0.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3869    2.5410    0.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6441    3.1385    1.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4533    1.4835    1.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8964   -0.7962    0.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4103   -2.6752   -1.1048 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