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
    2.5552   -2.0085    0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8147   -0.5773    0.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0260   -0.1649    0.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7237    0.3900    0.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9557    1.6109    0.6073 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4007    0.0033    0.1284 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7390    0.8167    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7936    2.1813    0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9439    2.9324    0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1399    2.3181   -0.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1270    0.9516   -0.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9622    0.2118   -0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9814   -1.5220   -0.4998 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.5967   -2.1914    0.7998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3830   -1.9415   -0.8203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9745   -2.0289   -1.7403 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4988   -2.5183    0.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9247   -2.1086   -0.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9972   -2.4789    1.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799   -0.8286    0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2740    0.8916    0.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2892   -1.0475   -0.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0998    2.7338    0.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8988    4.0264    0.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0332    2.8991   -0.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0563    0.4563   -0.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103   -3.0067   -1.5988 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