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
    2.8622    1.0851    1.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9011    0.0801    0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0698   -0.3306   -0.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6899   -0.4908   -0.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7838   -1.3431   -1.5116 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4534   -0.0249   -0.1070 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7972   -0.4380   -0.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0062   -1.3598   -1.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3071   -1.7111   -1.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4240   -1.1582   -1.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1726   -0.2359   -0.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9199    0.1378    0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7637    1.3175    1.3154 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.1243    1.6861    1.8256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1156    2.5847    0.8362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9244    0.6666    2.6402 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1139    0.8528    1.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5172    2.0443    0.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8657    1.2779    1.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010    0.0383   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1592   -1.0784   -1.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4826    0.7046    0.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2126   -1.8612   -2.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4720   -2.4460   -2.7285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4334   -1.4236   -1.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0496    0.2165    0.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1771    1.2094    3.4311 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