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
   -4.1296   -0.1471   -1.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8698    0.5306   -0.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8262    1.8036   -0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6703   -0.3024   -0.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8234   -1.5190   -0.7372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4248    0.1773   -0.0499 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7319   -0.6150    0.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7983   -1.9388   -0.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9722   -2.6949   -0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1047   -2.0589    0.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0940   -0.7075    0.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9367    0.0004    0.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9152    1.7057    0.8340 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.9578    2.0745    1.9308 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5489    2.4581   -0.4352 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4394    2.2158    1.3184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8788   -0.9413   -1.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5837   -0.5819   -0.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7454    0.5865   -1.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9363    2.2834   -0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7705    2.3583   -0.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3452    1.2388    0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0443   -2.5092   -0.4792 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9299   -3.7655   -0.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169   -2.6208    0.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0002   -0.1980    0.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6022    3.1674    1.0938 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