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
    3.8726    1.5409   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8305    0.4748   -0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2074   -0.7437    0.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4134    0.8897   -0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1679    2.1110   -0.3310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3297    0.0007   -0.0213 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0478    0.3142   -0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5849    1.5580   -0.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9440    1.8145   -0.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8294    0.7989   -0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3417   -0.4779    0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9879   -0.7191    0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862   -2.3251    0.3234 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.5364   -3.2742    0.5031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -2.3893    1.6133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4430   -2.8447   -0.9620 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6744    1.0927   -0.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4379    2.4432   -0.7354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2650    1.8670    0.7223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2606   -0.9955    0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5095   -1.5461    0.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6288   -1.0191    0.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9454    2.4152   -0.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2509    2.8525   -0.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8864    1.0003   -0.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0227   -1.3214    0.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1924   -3.5175   -0.5830 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