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
    2.9602    0.6722    1.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8574   -0.5726    0.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9304   -1.2986    0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5348   -0.9903   -0.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4357   -2.0521   -0.8903 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4014   -0.1818    0.0379 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138   -0.4551   -0.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2800   -1.5432   -1.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6245   -1.7035   -1.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5969   -0.7984   -1.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2312    0.3023   -0.3716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9161    0.4520   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5094    1.8886    0.9177 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.7244    2.7316    1.1533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9247    1.5017    2.2435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3960    2.7886    0.0354 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    0.7580    1.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7818    1.5171    0.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9368    0.8366    1.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8908   -1.0214    0.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8283   -2.2086   -0.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5628    0.7139    0.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6113   -2.3150   -1.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9034   -2.5892   -2.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6419   -0.9293   -1.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0060    1.0051   -0.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0266    3.4913    0.6303 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