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
    3.8887   -0.9773    1.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8322   -0.2386    0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1819    0.7152   -0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4485   -0.6475    0.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043   -1.6081    1.4195 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4257    0.0188   -0.0861 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9551   -0.3064    0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4709   -1.2860    0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483   -1.5405    0.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7392   -0.8013    0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2345    0.1881   -0.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8934    0.4409   -0.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3393    1.7069   -1.7374 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.4955    1.2063   -2.8677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.3808   -2.3432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5308    2.8363   -0.7960 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4995   -1.3396    2.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1665   -1.8688    0.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7261   -0.2944    1.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2288    0.9914   -0.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4852    1.2795   -0.9684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6343    0.8127   -0.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8238   -1.9151    1.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1980   -2.3404    1.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8002   -0.9964    0.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9732    0.7680   -1.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8863    2.8155    0.1465 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