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
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
4.2107 -0.4192 0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9827 0.0071 -0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1024 0.6572 -1.1901 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6893 -0.3277 0.5001 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6828 -0.9743 1.6021 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4457 0.0105 -0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8441 -0.2816 0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1062 -0.9610 1.6032 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3880 -1.2337 2.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4406 -0.7916 1.3336 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2004 -0.1050 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9434 0.1644 -0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7117 1.0421 -1.8072 S 0 0 0 0 0 6 0 0 0 0 0 0
-0.9944 0.2185 -2.8319 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9584 2.3061 -1.6077 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2203 1.4203 -2.4397 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5198 0.3495 1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9861 -0.6341 -0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9767 -1.3707 1.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0780 0.8849 -1.5863 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2570 0.9881 -1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5147 0.5540 -0.9929 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3047 -1.3312 2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4929 -1.7759 3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4432 -0.9992 1.6958 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0672 0.2396 -0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3305 2.3630 -2.6368 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