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
    2.7928    1.5141   -0.9366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8189    0.7031    0.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9203    0.5946    0.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6131    0.0178    0.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6755   -0.6595    1.7864 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3912    0.0861    0.0534 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8370   -0.5298    0.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0821   -1.3297    1.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034   -1.9154    1.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3591   -1.6908    0.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1723   -0.8948   -0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9514   -0.3270   -0.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7716    0.6691   -1.8542 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.3781    2.0558   -1.3951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0461    0.8146   -2.6218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6142    0.0414   -2.8769 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2176    1.0404   -1.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3025    2.5119   -0.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8265    1.6644   -1.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8066    1.1235    0.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0118    0.0147    1.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4353    0.6923   -0.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2618   -1.5247    2.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3802   -2.5326    2.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3243   -2.1533    1.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0368   -0.7481   -0.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2937    0.7621   -3.4582 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