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
    3.0579    1.4623    0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0240   -0.0196    0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1633   -0.6648    0.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7491   -0.7530    0.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7871   -1.9943    0.2389 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5217   -0.0559    0.0857 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7624   -0.6167   -0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0046   -1.9545   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3067   -2.4618   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3761   -1.6130   -0.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1355   -0.2515   -0.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8395    0.2287   -0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5802    1.9454   -0.1474 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.7476    2.3299   -1.3613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9254    2.4317    1.1120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0354    2.7705   -0.2986 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0786    1.8327    0.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350    1.8728    1.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4045    1.8414   -0.5433 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1057   -0.1555    0.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1687   -1.7416    0.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6496    1.0127    0.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2556   -2.7145    0.0598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5098   -3.5183   -0.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3962   -2.0082   -0.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9413    0.4491   -0.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5289    2.3459   -1.0356 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