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
    3.2154    0.8082   -0.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8391   -0.6041   -0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7588   -1.5157   -0.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4346   -1.0504   -0.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2362   -2.2833   -0.2508 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4006   -0.1046    0.0370 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9497   -0.4210    0.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4522   -1.6908    0.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8109   -1.9211    0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6628   -0.8626    0.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1372    0.4059    0.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8028    0.6852    0.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2163    2.3042    0.4349 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.3863    3.2450    0.5025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3355    2.5893    1.5953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4406    2.6528   -1.0370 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0262    1.3048   -1.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3015    0.9166    0.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6707    1.3701    0.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8155   -1.2976   -0.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4751   -2.5495   -0.5326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7592    0.8912    0.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586   -2.5766   -0.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1847   -2.9386    0.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7252   -1.0577    0.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8426    1.2172    0.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1275    2.4830   -1.7332 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