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
    3.7530   -1.2217   -1.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6121   -0.2970   -1.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7525    0.9638   -1.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -0.7946   -0.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3547   -2.0485   -0.2093 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2783    0.0330   -0.1695 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9322   -0.4088    0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2016   -1.7118    0.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4145   -2.0833    1.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3593   -1.1110    1.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0956    0.1999    1.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9036    0.5816    0.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5945    2.2210    0.1740 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.4369    2.3632   -1.3202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7876    3.0499    0.5557 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2728    2.8658    0.9858 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4339   -2.2527   -1.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0563   -1.1618   -2.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6360   -0.9650   -0.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0035    1.6888   -1.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6806    1.3402   -1.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3752    1.0513   -0.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966   -2.5075    0.6332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6287   -3.1058    1.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3364   -1.3405    1.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8526    0.9793    1.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0012    3.6724    0.4633 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