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
    2.9449   -1.2097   -0.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800    0.2694   -0.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9885    0.9786   -0.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5731    0.9212   -0.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5610    2.1434   -0.0476 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4065    0.1517   -0.1691 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9200    0.5905    0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1981    1.9145    0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4944    2.3369    0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5111    1.4235    0.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2201    0.0996    0.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9449   -0.3575    0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6013   -2.0362   -0.2151 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.9821   -2.2918   -1.5705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8787   -2.8202   -0.1234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5575   -2.6391    0.9628 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9915   -1.5331   -0.5993 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5494   -1.4539   -1.6535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3355   -1.7290    0.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9140    2.0464   -0.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9143    0.4575   -0.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5290   -0.9075   -0.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4477    2.7107    0.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7123    3.4093    0.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5472    1.7630    0.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0359   -0.6258    0.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5366   -3.6124    0.8435 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