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
    2.8502   -1.6039    0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9077   -0.1708    0.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0126    0.4346    0.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6802    0.6496    0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7300    1.8761    0.5958 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4466    0.0481    0.0014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7941    0.7064   -0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0117    2.0514    0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621    2.5990   -0.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3379    1.7864   -0.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1405    0.4356   -0.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8921   -0.0984   -0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6431   -1.8006   -0.7362 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.6959   -2.0563   -1.8760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9823   -2.4647   -1.0253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0712   -2.4793    0.6800 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2785   -1.8127   -0.7570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2945   -2.1228    1.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8400   -2.0932    0.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0766    1.4980    1.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230   -0.1697    0.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4992   -1.0022   -0.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2097    2.6923    0.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3801    3.6577    0.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3142    2.2449   -0.5682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9610   -0.2233   -0.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8434   -2.5821    1.3007 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