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
    2.9487    1.4311    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9319   -0.0431    0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0297   -0.7295    0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6369   -0.7577    0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6872   -1.9940    0.2122 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4203   -0.0668   -0.0170 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8546   -0.6588   -0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1462   -1.9984    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4452   -2.5220   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4718   -1.6204   -0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2222   -0.2731   -0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9453    0.1971   -0.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6990    1.9416   -0.3053 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.0192    2.6269   -0.4952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0495    2.4602    0.9280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7434    2.2805   -1.6635 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9035    1.8573    0.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8901    1.7786   -1.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1494    1.8982    0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9908   -1.7988    0.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9978   -0.2605    0.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4951    0.9770   -0.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3260   -2.7008    0.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5893   -3.5945    0.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4853   -2.0077   -0.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0792    0.4113   -0.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0050    3.1662   -2.0636 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