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
    4.2039    0.6298   -0.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9253   -0.1338   -0.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9662   -1.4337   -0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6761    0.5619   -0.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7462    1.8062   -0.1310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.0733   -0.0981 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8222    0.5232    0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0501    1.8785    0.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3104    2.4059    0.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3648    1.5554    0.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1511    0.2042    0.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9199   -0.3300    0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7229   -2.0286    0.0715 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.7675   -2.6340    1.0699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1973   -2.3332   -1.3164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1680   -2.8611    0.2281 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8538    0.1742   -1.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8027    0.6089    0.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0204    1.6715   -0.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9279   -1.9181   -0.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1419   -2.1213   -0.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4723   -1.1296   -0.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2365    2.5703    0.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3776    3.4805    0.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3535    1.9521    0.8972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0183   -0.4372    0.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7014   -2.5888    0.9978 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