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
    4.0416    0.5343    1.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6609    1.0016    0.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3428    2.2689    0.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6997   -0.0077    0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1347   -1.2074    0.5145 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3755    0.2716    0.1142 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5664   -0.7035   -0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3685   -2.0543   -0.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3905   -2.9255   -0.7971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6367   -2.4589   -1.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8557   -1.1042   -1.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8450   -0.2532   -0.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1459    1.4736   -0.5293 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.2833    2.2410   -1.4662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9783    1.9823    0.8726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7525    1.7582   -1.0081 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9225   -0.4511    1.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5223    1.2840    1.9919 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6144    0.4770    0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1352    2.9511    1.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3725    2.6110    0.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1193    1.2942    0.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5972   -2.4710   -0.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1347   -3.9837   -0.8374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4188   -3.1355   -1.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8240   -0.6658   -1.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3383    1.2729   -0.3703 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