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
    2.8637   -1.5460    0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9440   -0.0737    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0918    0.5705    0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6728    0.6790    0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7795    1.9261    0.0351 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4254    0.0318    0.1086 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8311    0.6693    0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0406    2.0144    0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3062    2.6091    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4178    1.8182    0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2318    0.4548    0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9959   -0.1348    0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103   -1.8520    0.1812 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.1242   -2.1992    1.4830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1624   -2.5061    0.2059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9736   -2.4635   -1.1323 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326   -1.9318   -0.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8884   -1.9701    0.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1862   -1.8190    0.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0423    0.0547    0.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1548    1.6505    0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4889   -1.0303    0.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1882    2.7011    0.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3580    3.6928   -0.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4047    2.2738    0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1103   -0.1754    0.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0154   -3.4440   -1.0713 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