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
    4.1397   -0.5049    0.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8959    0.0404   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    0.8531   -1.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6183   -0.3471    0.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6133   -1.1436    1.4552 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3716    0.1045   -0.0145 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -0.2120    0.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1960   -1.0386    1.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4891   -1.3164    1.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5193   -0.7277    1.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2616    0.1091    0.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9956    0.3787   -0.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7880    1.4444   -1.5305 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.1404    1.8048   -2.0702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0989    2.7206   -1.1806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9932    0.6056   -2.7440 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9112   -0.5607   -0.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0025   -1.5218    0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5573    0.1840    1.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1654    1.3174   -1.6585 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9708    1.1373   -1.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4474    0.7645   -0.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4130   -1.5288    2.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6531   -1.9859    2.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5363   -0.9191    1.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1544    0.5447   -0.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5294   -0.2023   -2.9383 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