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
    2.8604    1.5415    0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9517    0.0899    0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0965   -0.5560    0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7031   -0.7042    0.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7627   -1.9493    0.2922 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4381   -0.0943    0.0880 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8301   -0.6991    0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0744   -2.0376    0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3591   -2.5765    0.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4380   -1.7607    0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2392   -0.4017   -0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9638    0.1223   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7408    1.8315   -0.1624 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.0706    2.5163   -0.2924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0639    2.3852    1.0559 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8232    2.2560   -1.5081 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    1.9328    1.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8209    2.0481   -0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1596    1.8518   -0.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1659   -1.6310    0.3817 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0284   -0.0069    0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4822    0.9725    0.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241   -2.7353    0.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4237   -3.6602    0.2258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4335   -2.1897    0.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1010    0.2582   -0.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0590    3.1964   -1.7803 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