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
    2.8560    1.5936    0.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8381    0.1248    0.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9126   -0.5517    1.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6423   -0.6355    0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6942   -1.8807    0.3658 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4240   -0.0145    0.0389 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7909   -0.6279   -0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0254   -1.9687   -0.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2453   -2.5115   -0.8055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2919   -1.6701   -1.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1090   -0.3251   -1.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8940    0.1935   -0.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6935    1.9034   -0.5354 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.0009    2.5738   -0.8320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6980    2.4128   -1.5379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2592    2.3261    1.0291 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5376    2.0109    1.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8952    2.0115    0.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2692    2.0368   -0.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9313   -1.6198    1.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8009   -0.0065    1.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4880    1.0591    0.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2352   -2.6579   -0.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3556   -3.5726   -0.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2251   -2.1472   -1.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9671    0.3096   -1.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4983    1.6340    1.6925 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