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
   -3.9985   -1.1338   -0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8393   -0.1788   -0.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1139    1.0856    0.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5055   -0.7627   -0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3880   -1.9927   -0.2918 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3561    0.0127    0.0835 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9999   -0.3904    0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3619   -1.6985   -0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7355   -2.0079   -0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6971   -1.0404    0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3158    0.2631    0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664    0.5788    0.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4748    2.2318    0.5228 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.6349    2.3511    1.7507 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6769    3.1444    0.6009 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6007    2.7478   -0.8143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8786   -0.5534   -0.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1644   -1.6816    0.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6620   -1.8707   -1.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3501    1.7997    0.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1510    1.4322    0.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552    1.0500    0.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6556   -2.4950   -0.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0601   -3.0319   -0.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7442   -1.3184    0.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0290    1.0665    0.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0099    2.3926   -1.6379 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