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
    3.1889    1.1179    0.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8604   -0.2593    0.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8030   -0.9781    1.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5263   -0.8474    0.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3221   -2.0001    1.2127 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668   -0.1143    0.2270 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8514   -0.5514    0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3753   -1.7596    0.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7144   -2.0819    0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5620   -1.1886   -0.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0412    0.0350   -0.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7247    0.3505   -0.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1518    1.9227   -1.0920 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.0242    1.8409   -2.0272 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    2.6539    0.1558 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4233    2.7656   -1.7795 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3665    1.8397    0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3151    1.0653   -0.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    1.4353    0.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8129   -0.6279    1.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5747   -1.9777    1.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621    0.8685   -0.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7677   -2.5003    0.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1255   -3.0455    0.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6103   -1.4275   -0.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7094    0.7478   -1.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4033    2.7165   -2.7833 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