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
    4.0873    0.4862   -0.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8519    0.2470    0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9431    0.1224    1.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5544    0.1609   -0.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5680    0.2924   -1.7992 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3513   -0.0600    0.1125 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9295   -0.1579   -0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1854   -0.0572   -1.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4569   -0.1641   -2.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5117   -0.3786   -1.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2821   -0.4834   -0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0297   -0.3776    0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7247   -0.5094    2.1065 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.8523   -1.6912    2.3389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0741   -0.7006    2.7794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0347    0.9438    2.5738 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7105   -0.4367   -0.7235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8397    0.8518   -1.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6278    1.3091   -0.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9349    0.1979    1.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1263   -0.0503    2.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4215   -0.1611    1.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703    0.1145   -2.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6004   -0.0764   -3.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5271   -0.4666   -1.8778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1028   -0.6522    0.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3350    1.6971    2.0011 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