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
    4.1980   -0.2367    0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7727   -0.7074    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5550   -1.9541    0.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6738    0.2493   -0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4471   -0.3967 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3245   -0.1083   -0.0581 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7825    0.7586   -0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6940    2.0845   -0.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8286    2.8342   -0.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0854    2.2645   -0.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1910    0.9268   -0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0613    0.1855   -0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2126   -1.5137    0.2452 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.5878   -1.8093    1.5917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6642   -1.8791    0.3713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4727   -2.4947   -0.8860 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4470    0.2010    1.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547   -1.0893   -0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2996    0.4844   -0.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5641   -2.3426    0.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4189   -2.6025    0.5769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1254   -1.1060    0.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2510    2.5691   -0.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379    3.8814   -1.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9626    2.8432   -0.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1803    0.4446   -0.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0236   -3.3305   -0.9499 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