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
    4.0613    0.1305    0.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388   -0.3835    0.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9334   -1.4535   -0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5794    0.3089    0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5862    1.3370    1.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3487   -0.0682   -0.0816 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9132    0.5395    0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1841    1.6727    0.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4384    2.2527    0.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750    1.6505    0.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2428    0.5172   -0.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9896   -0.0518   -0.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7114   -1.4872   -1.5579 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.0449   -1.9840   -2.0542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7630   -1.2420   -2.6942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1153   -2.7035   -0.5341 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4475    1.0590    0.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8530    0.4706    1.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   -0.6384    1.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9053   -1.9657   -0.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001   -1.8937   -0.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4021   -0.9401   -0.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3927    2.1662    1.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5847    3.1516    1.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4704    2.0638    0.2892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0758    0.0389   -1.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5044   -2.5476    0.3682 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