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
    3.7999   -1.1586   -1.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8788   -0.4758   -0.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3916    0.2386    0.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4467   -0.6361   -0.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0490   -1.3651   -1.6740 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4682   -0.0443    0.1209 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9246   -0.1789   -0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6106   -0.8921   -0.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0081   -0.9810   -1.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7252   -0.2803   -0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0925    0.4723    0.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7181    0.5157    0.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9745    1.4857    2.1592 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.0984    0.6317    3.0578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1373    2.5680    1.5415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1411    2.1792    3.1282 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3155   -1.2857   -2.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1094   -2.1502   -1.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7424   -0.5762   -1.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759    0.7572    1.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4814    0.3528    0.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8562    0.5583    0.9262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0720   -1.4410   -1.6838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4834   -1.5746   -1.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8187   -0.3271   -0.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6933    1.0080    1.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8172    2.5998    2.5405 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