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
    3.0156    1.1653   -0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8364   -0.3105   -0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8902   -1.0516   -0.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4876   -0.8976   -0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4244   -2.1343   -0.4580 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3604   -0.0857   -0.0529 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -0.5616    0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3057   -1.8847   -0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6465   -2.2832    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6028   -1.3286    0.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2411    0.0044    0.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9325    0.4073    0.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4721    2.0525    0.4612 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.9103    2.6201   -0.8353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7019    2.8807    0.7577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3928    2.3273    1.7138 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.4764   -0.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2572    1.6508   -0.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8699    1.3877    0.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7558   -2.1208   -0.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8648   -0.6089   -0.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5860    0.9369    0.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6019   -2.6719   -0.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9490   -3.3009   -0.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6321   -1.6430    0.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0181    0.7532    0.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0076    3.2208    1.5489 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