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
    4.1131   -1.2631   -0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9395   -0.3605   -0.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1713    0.8445   -0.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -0.8381   -0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4196   -2.0308    0.3761 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4325   -0.0613   -0.2443 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9052   -0.4079   -0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3459   -1.6323    0.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7134   -1.8748    0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6408   -0.9069    0.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2316    0.3194   -0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8861    0.5424   -0.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116    2.1035   -0.8915 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.5568    2.7686    0.1585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6617    2.0101   -2.1880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7352    3.1056   -1.1494 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9901   -0.9442   -0.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8002   -2.2640   -0.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3313   -1.3984    0.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3903    1.5835   -0.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2230    1.1366   -0.9331 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6176    0.9241   -0.6021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6379   -2.4093    0.6684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0044   -2.8675    0.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6797   -1.1514    0.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9730    1.0740   -0.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6244    3.9982   -0.7621 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