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
   -4.2342    0.2508    0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8982    0.6754   -0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8442    1.7554   -0.7676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7423   -0.1497    0.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9478   -1.1531    1.0681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4286    0.1358   -0.0679 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7278   -0.6033    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7921   -1.7302    1.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9754   -2.4032    1.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621   -1.9206    0.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1433   -0.7857   -0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446   -0.1521   -0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9495    1.2693   -1.2615 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.1039    1.1117   -2.4921 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4566    2.4725   -0.4704 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5184    1.5930   -1.7439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9929    1.0494    0.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1730    0.1048    1.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5492   -0.7284    0.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9180    2.1165   -1.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7357    2.3056   -0.9933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.0132   -0.6783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0867   -2.1452    1.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9519   -3.2882    1.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0819   -2.4633    0.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0831   -0.4349   -0.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0174    2.1043   -1.0557 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