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
    2.9556   -1.6124    0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0236   -0.1367   -0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2158    0.4442   -0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8113    0.6840   -0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8673    1.9312   -0.1866 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5511    0.0558    0.0253 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6951    0.6764    0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9226    2.0166   -0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2123    2.5691   -0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2927    1.7582    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0813    0.3974    0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8187   -0.1335    0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6464   -1.8875    0.2901 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.9638   -2.4113   -0.9390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8479   -2.2368    1.5371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1234   -2.6098    0.4245 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3937   -1.9746   -0.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2940   -1.8258    0.9091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9383   -2.0641    0.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3254    1.5143   -0.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1196   -0.1457   -0.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6017   -1.0228    0.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1480    2.7217   -0.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3595    3.6366   -0.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3173    2.1385    0.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9465   -0.2810    0.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7219   -2.2020    1.0964 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