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
    4.1320    0.5667    0.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800   -0.1858   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9564   -1.4770   -0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6123    0.5366    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6558    1.7679    0.2162 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3666   -0.0757   -0.2214 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9008    0.5580   -0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1522    1.8854   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4310    2.4288   -0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5281    1.6382   -0.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3122    0.2982   -0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0381   -0.2238   -0.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7863   -1.9365   -0.7437 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.1068   -2.6157   -0.9654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9584   -2.1617   -1.9680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0562   -2.6778    0.5657 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4763    0.4393    1.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0004    1.6618    0.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9414    0.2686   -0.4723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9359   -1.9813   -0.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.1379   -0.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4302   -1.1303   -0.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3464    2.5629    0.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5601    3.4917    0.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5100    2.0644   -0.3136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1618   -0.3430   -0.6939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6730   -3.2217    1.1048 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