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
    3.0659   -0.7827   -0.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7482   -0.8147    0.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6285   -1.1667    1.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3835   -0.4340    1.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0857   -0.4530    2.2220 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4030   -0.0481    0.0785 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9179    0.3368    0.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4996    0.4092    1.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8157    0.7974    1.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5920    1.1298    0.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0385    1.0675   -0.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7266    0.6791   -0.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0305    0.6001   -2.3548 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.1157    1.5351   -2.5312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1232    0.9069   -3.3713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5240   -0.9646   -2.6798 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5651   -1.5861   -1.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7206    0.1776   -1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1693   -0.8088   -0.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4189   -1.2000    2.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6355   -1.4505    1.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7338   -0.0567   -0.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276    0.1566    2.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1878    0.8253    2.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6300    1.4377    0.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6342    1.3271   -1.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0259   -1.6202   -2.1186 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