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
    4.1524    0.1249   -0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8175   -0.5198   -0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6716   -1.8005   -0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6450    0.3514    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8784    1.6048    0.1623 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3308   -0.1637    0.0424 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103    0.6365    0.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8712    1.9978    0.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0771    2.7023    0.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2582    2.0130    0.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2152    0.6453    0.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0382   -0.0392    0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0432   -1.7544   -0.0313 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.4811   -2.2470   -0.1243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3144   -2.4930    1.0472 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3135   -2.0953   -1.5240 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3448    0.6596    0.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9255   -0.6587   -0.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2232    0.8961   -0.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6015   -2.3922   -0.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7887   -2.3665   -0.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -1.2079   -0.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0475    2.5683    0.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0751    3.7604    0.6313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2281    2.4997    0.5902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1528    0.0845    0.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8230   -2.8062   -1.9895 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