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
   -3.2047    0.8826    0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9161   -0.5233    0.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9073   -1.3267    0.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5596   -1.0706    0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3415   -2.2468    0.8899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5019   -0.1981    0.2662 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8874   -0.5301    0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4021   -1.7693    0.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7553   -2.0615    0.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030   -1.0420    0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    0.2313   -0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8044    0.4647   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.0722   -0.4327 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.3081    2.1104   -1.6302 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5280    2.5928    0.8117 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5269    3.0778   -0.8169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9857    1.5776    1.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2913    0.9843    0.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6080    1.1731   -0.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7840   -2.3640    1.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9146   -0.9457    0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7294    0.8213    0.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7369   -2.5740    0.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -3.0768    0.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6688   -1.2314    0.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8816    0.9888   -0.4073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1744    3.9835   -1.0017 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