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
    4.1458   -0.6530   -0.8364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9137    0.1663   -0.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0547    1.4532   -0.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6716   -0.5669   -0.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7161   -1.8149   -0.3772 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4413    0.0761   -0.0777 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8082   -0.5300    0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0798   -1.8738    0.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3232   -2.4096    0.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3726   -1.5566    0.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1656   -0.1796    0.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8999    0.2977    0.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6629    2.0255    0.3780 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.7169    2.3757    1.4929 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1556    2.5072   -0.9599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1002    2.8384    0.6861 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4707   -0.3995   -1.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9160   -0.4247   -0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9411   -1.7343   -0.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0126    1.9011   -0.7501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2182    2.0983   -0.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5075    1.1402   -0.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2766   -2.5691    0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4382   -3.4750    0.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3590   -1.9781    0.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0171    0.4560    0.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6334    2.8292   -0.1412 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