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
    2.8392    1.6598   -0.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9099    0.2121    0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0814   -0.3662    0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6869   -0.6056    0.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8151   -1.8286    0.5091 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4136   -0.0343    0.0832 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8147   -0.7159    0.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0151   -2.0499    0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2894   -2.6354    0.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4184   -1.8839    0.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2347   -0.5396   -0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9877    0.0340   -0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8747    1.7659   -0.3727 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.2461    2.3574   -0.5500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2193    2.4180    0.7803 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9735    1.9978   -1.7417 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7157    1.8518   -1.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062    2.1202    0.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7765    2.1872    0.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1707   -1.4258    0.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0174    0.1745    0.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4057    1.0131   -0.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1548   -2.6752    0.5405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4226   -3.6845    0.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3882   -2.3546    0.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1032    0.0789   -0.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6959    2.9289   -1.8661 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