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
    3.0089   -1.2948    0.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9727   -2.2540    0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2669   -3.5337    0.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6403   -1.8244    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1789   -2.6752   -0.3718 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3148   -0.4556    0.0440 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9110    0.1425   -0.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0037   -0.5428   -0.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1973    0.1106   -1.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3172    1.4661   -1.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2397    2.1734   -0.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0540    1.5125   -0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2946    2.4381    0.4328 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.4435    2.3042   -0.5192 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217    1.9669    1.7952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1043    4.0854    0.4784 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0063   -0.4497    0.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0199   -1.7112    0.8369 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8303   -0.9234    1.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660   -4.2911    0.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2469   -3.8649    0.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0910    0.1978    0.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9510   -1.6225   -0.9147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0397   -0.4459   -1.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2239    2.0149   -1.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2698    3.2487   -0.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9332    4.2281    1.0044 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