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
    4.2521   -0.5663   -0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9412    0.1980   -0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9705    1.4987   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6999   -0.5742   -0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -1.8366   -0.0097 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4494    0.0442    0.0103 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8294   -0.5305    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0075   -1.8838    0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2917   -2.4514    0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4029   -1.6603    0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1978   -0.3011    0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9454    0.2680    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7528    2.0200    0.0066 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.9871    2.4147   -1.2228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9853    2.4705    1.2091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2694    2.7474    0.0336 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5185   -0.8697   -1.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0464    0.1131    0.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1793   -1.4027    0.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1086    2.1215   -0.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9470    1.9944   -0.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4663    1.1065    0.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2193   -2.6195    0.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4010   -3.5090    0.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3840   -2.0982    0.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0875    0.3336    0.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5788    2.9726   -0.8904 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