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
    2.9131    1.4474    0.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9157    0.0324   -0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0530   -0.5545   -0.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6496   -0.7198   -0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6582   -1.9173   -0.7674 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489   -0.0538   -0.1223 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8363   -0.6386   -0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241   -1.9311   -0.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4338   -2.4331   -0.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4856   -1.6117   -0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2393   -0.3043    0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9391    0.1471    0.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6556    1.8118    0.5931 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.9878    2.5981   -0.5078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9813    2.4808    0.8788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6682    1.8683    1.9514 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    2.0413   -0.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2848    1.6365    0.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9061    1.8381    0.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9763   -0.0137   -0.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0534   -1.5913   -0.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5347    0.9856    0.1705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3187   -2.6126   -0.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5740   -3.4723   -0.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4992   -1.9894   -0.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0721    0.3402    0.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0003    2.6158    2.5322 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