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
    4.1470   -0.2443    0.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8184   -0.7422    0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6635   -1.8919   -0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6691    0.1657    0.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8657    1.2910    0.8625 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3531   -0.1340   -0.0922 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7617    0.6918    0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8300    1.9218    0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0129    2.6629    0.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1940    2.1366    0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1709    0.8898   -0.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9915    0.1907   -0.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329   -1.3953   -1.1394 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.2114   -1.4053   -2.4026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4382   -1.7556   -1.5244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5046   -2.5801   -0.0648 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5394    0.5382   -0.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8096   -1.1381    0.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0323    0.1880    1.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7482   -2.2923   -0.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5606   -2.5141   -0.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2485   -1.0928   -0.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0557    2.3937    1.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9741    3.6466    1.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1181    2.6984    0.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0941    0.4363   -0.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1766   -2.6653    0.6349 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