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
    4.1124   -0.3431   -0.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8511    0.3296   -0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8363    1.5786    0.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5946   -0.4319   -0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7155   -1.6531   -0.6230 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3337    0.1207    0.0665 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8647   -0.5946    0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0302   -1.9071   -0.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2738   -2.5550   -0.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3852   -1.8356   -0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2653   -0.5148    0.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0303    0.1090    0.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8679    1.7701    0.8282 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.0488    1.9409    2.0840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2361    2.3185    1.1188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2118    2.7108   -0.3919 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2752   -0.4350   -1.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1166   -1.3317   -0.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9693    0.2579   -0.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9858    2.1723    0.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8180    2.0999    0.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3674    1.1389    0.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1855   -2.5056   -0.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2957   -3.5931   -0.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3350   -2.3510   -0.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1428    0.0700    0.6407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8031    3.4346   -0.6928 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