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
    4.2084   -0.7050    0.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0002    0.0488   -0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1636    1.2430   -0.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6670   -0.5783    0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6022   -1.7150    0.6670 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4895    0.0822   -0.2240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8319   -0.4170   -0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1647   -1.6221    0.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4799   -2.0476    0.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5224   -1.2710    0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2134   -0.0482   -0.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9078    0.3631   -0.5391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5882    1.9086   -1.2452 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.9067    2.7895   -0.2400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7154    1.6910   -2.4549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0233    2.6771   -1.6920 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1143   -0.3141   -0.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0247   -1.7728    0.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2432   -0.6183    1.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1823    1.6470   -0.6612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3914    1.8961   -0.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5985    1.0513   -0.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4252   -2.3043    0.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6949   -3.0319    0.9904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5455   -1.6182    0.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0495    0.5599   -0.7896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6168    2.1064   -2.2126 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