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
    2.9151   -1.1948    0.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7527   -0.8518   -0.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7719   -1.0140   -1.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4742   -0.3346   -0.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4020   -0.0665   -2.1791 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3508   -0.1377   -0.1537 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9226    0.3455   -0.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3120    0.7244   -1.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5883    1.1964   -2.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5388    1.3042   -1.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1789    0.9327    0.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9168    0.4679    0.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4818   -0.0002    2.0906 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.6494    0.3092    2.9831 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1554   -1.4519    2.1572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1894    0.9390    2.6622 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7802   -1.8313    1.1905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0891   -0.2294    1.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9908   -1.6646    1.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7209   -0.7832   -2.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7171   -1.3898   -0.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5003   -0.3919    0.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5872    0.6558   -2.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8469    1.4810   -3.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5479    1.6694   -1.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9065    1.0041    0.9679 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3568    0.3122    3.2284 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