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
    4.0885    0.7042   -0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7557    0.2148   -0.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6314   -0.4029   -1.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6235    0.4435    0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9118    1.0701    1.1454 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3134    0.0353   -0.2027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7814    0.2564    0.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8025    0.8875    1.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9662    1.0499    2.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1621    0.5681    2.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1631   -0.0733    0.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0302   -0.2263    0.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1298   -1.0492   -1.3177 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.7631   -0.1467   -2.4676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5426   -1.4920   -1.5444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1590   -2.4151   -1.3497 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8680    0.4992   -1.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3521    0.1281    0.5346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0663    1.7664   -0.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4894   -0.5618   -2.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7015   -0.7824   -2.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1813   -0.4763   -1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1332    1.2833    2.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9098    1.5535    3.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0909    0.6675    2.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1420   -0.4515    0.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4734   -3.0503   -2.0411 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