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
    2.9127    1.5874   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9549    0.1063   -0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -0.5744   -0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6944   -0.6772   -0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7698   -1.9227   -0.2289 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4383   -0.0305   -0.0941 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8260   -0.6622   -0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0376   -2.0106   -0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3049   -2.5535   -0.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3826   -1.7313   -0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1814   -0.3759   -0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9393    0.1803   -0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7548    1.9109    0.0538 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.1084    2.5401    0.2153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1310    2.5028   -1.1601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8816    2.3072    1.4538 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5677    1.8742    0.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9148    1.9838   -0.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2348    2.0202   -0.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1154   -1.6438   -0.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9980   -0.0227   -0.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5156    1.0281   -0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2335   -2.7232   -0.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4492   -3.6250   -0.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3973   -2.1254   -0.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0693    0.2550   -0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4946    2.3822    2.2307 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