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
    3.7494    1.8627    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.7099    0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2827   -0.4645    0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3783    0.9974   -0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0214    2.1740   -0.3767 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3794    0.0136   -0.0406 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0150    0.1542   -0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6269    1.3411   -0.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0109    1.4018   -0.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8135    0.2946   -0.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1807   -0.8881   -0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8306   -0.9761   -0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1124   -2.5303    0.2655 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.1816   -3.5720    0.3126 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1465   -2.8747   -0.8452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3167   -2.4807    1.7417 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0019    2.2436    1.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7095    1.5389   -0.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3418    2.6915   -0.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3380   -0.5874    0.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6460   -1.3168    0.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7261   -0.9694    0.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0975    2.2737   -0.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4682    2.3379   -0.9509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8768    0.3896   -0.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8130   -1.7637   -0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8841   -2.0008    2.3814 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