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
    4.2002   -0.1161    0.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8629    0.5049    0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7604    1.7955   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6839   -0.3373    0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8683   -1.5745    0.1650 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3577    0.1104   -0.0424 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8306   -0.6621   -0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9092   -2.0227    0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0889   -2.7418    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2964   -2.0685   -0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2425   -0.6995   -0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0726    0.0115   -0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1058    1.7464   -0.2948 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.4492    2.1968   -1.5655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5354    2.1968   -0.3275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3992    2.4837    1.0507 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6517   -0.3480   -0.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8856    0.5049    0.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1396   -1.1103    0.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8259    2.3066   -0.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6447    2.4316   -0.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2305    1.1652   -0.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0167   -2.6003    0.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0685   -3.8244    0.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2324   -2.5956   -0.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2025   -0.1873   -0.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6615    3.4340    1.0739 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