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
    4.2891    0.1268    0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9539   -0.4836   -0.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9406   -1.6641   -0.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7538    0.3146    0.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9055    1.4390    0.7785 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4488   -0.1343   -0.0128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7716    0.5393    0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8865    1.7760    0.8256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1194    2.3790    1.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2733    1.7219    0.6814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2069    0.4775    0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9757   -0.0814   -0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8740   -1.6566   -0.8660 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.2721   -2.6550    0.0947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220   -1.5931   -2.1600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4385   -2.1816   -1.1768 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5672    0.9173   -0.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0770   -0.6539    0.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2418    0.5409    1.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0150   -2.1337   -0.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8543   -2.2074   -0.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3691   -1.0903   -0.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0117    2.3071    1.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1220    3.3475    1.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2282    2.2148    0.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1299   -0.0442   -0.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9845   -1.5225   -1.6481 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