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
    4.1891    0.0517   -0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8111    0.4083   -0.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7337    1.2463   -1.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6541   -0.2056    0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8725   -0.9979    1.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3163    0.0511   -0.1918 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8386   -0.4943    0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8782   -1.3872    1.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -1.8671    1.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3061   -1.4685    1.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2717   -0.5742    0.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0791   -0.0908   -0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    1.0462   -1.4260 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.5187    1.4295   -1.7086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4246    0.5061   -2.6578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3339    2.4672   -0.8881 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9517    0.2872   -0.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4134    0.5603    0.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2452   -1.0579    0.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6382    1.6581   -1.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7609    1.5285   -1.8884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2126    0.7361   -1.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0477   -1.7358    1.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0852   -2.5703    2.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2344   -1.8436    1.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2082   -0.2333   -0.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4764    2.5498    0.0951 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