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
    2.8870    1.5176    0.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9477    0.0548    0.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0713   -0.5715    0.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7238   -0.7226    0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7814   -1.9714    0.2963 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4909   -0.0791    0.0866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7305   -0.7111   -0.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9504   -2.0691   -0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2061   -2.6295   -0.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2366   -1.7473   -0.7614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0915   -0.3902   -0.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8381    0.1187   -0.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    1.8451   -0.3523 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.1712    2.2299    1.0259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5841    2.3326   -1.3185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1010    2.6136   -0.6421 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    1.9384   -0.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3904    1.9067    1.5739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8919    1.9817    0.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0095   -0.0620    1.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1617   -1.6587    0.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5580    0.9928    0.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1320   -2.7532   -0.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2965   -3.7059   -0.5929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2064   -2.1750   -0.9801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9109    0.3101   -0.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1617    3.4047   -0.0806 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