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
    2.8372    1.6544    0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9119    0.2312   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0393   -0.3537   -0.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6674   -0.5399   -0.3934 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8199   -1.7443   -0.7105 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4188    0.0420   -0.1169 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794   -0.6666   -0.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9650   -1.9869   -0.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2403   -2.5912   -0.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3445   -1.8409   -0.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1996   -0.5119    0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9451    0.0556    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917    1.7300    0.5456 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.1534    2.3017    0.8110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2002    2.5444   -0.5690 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8096    1.8584    1.9204 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1845    1.8275    0.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242    2.0870    0.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3601    2.2731   -0.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -1.3976   -0.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9742    0.2088   -0.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668    1.0750    0.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1048   -2.5936   -0.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2846   -3.6314   -0.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3119   -2.3209   -0.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0870    0.0644    0.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3695    2.2256    2.6448 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