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
    4.2150   -0.0893    0.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9529   -0.2534   -0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0191   -0.6984   -1.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6890    0.0925    0.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7296    0.5155    1.7483 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4291   -0.0237   -0.0591 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8324    0.2702    0.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0010    0.7415    1.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2770    1.0181    2.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3716    0.8205    1.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2073    0.3482    0.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9498    0.0694   -0.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6862   -0.5266   -1.9551 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.8965    0.4423   -2.8012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0785   -1.9011   -1.9704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2067   -0.6685   -2.7032 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3164   -0.8493    1.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1993    0.9005    1.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1024   -0.0809   -0.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1308   -0.8389   -1.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9628   -0.9482   -1.8341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4538   -0.3854   -1.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1873    0.9176    2.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4002    1.3941    3.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3674    1.0321    1.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0794    0.1958   -0.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6590   -1.4948   -2.4028 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