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
    2.9558   -1.0584   -1.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103   -0.2342    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1733    0.0413    0.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7491    0.2463    0.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8652    0.9399    1.6605 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5035   -0.0621    0.0298 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7188    0.3706    0.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8985    1.1529    1.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1784    1.5510    2.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2872    1.1456    1.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1376    0.3560    0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8726   -0.0231   -0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6715   -1.0221   -1.5714 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.8966   -0.2250   -2.5921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9814   -2.3197   -1.2673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2085   -1.3420   -2.2211 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3233   -0.5429   -1.9066 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5834   -2.0688   -0.8928 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9689   -1.1389   -1.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0902   -0.3211    0.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2291    0.6534    1.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5859   -0.6600   -0.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793    1.5078    2.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3133    2.1660    2.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2846    1.4477    1.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0183    0.0368   -0.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4914   -0.5969   -2.8084 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