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
4.1524 0.1249 -0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8175 -0.5198 -0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6716 -1.8005 -0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6450 0.3514 0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8784 1.6048 0.1623 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3308 -0.1637 0.0424 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8103 0.6365 0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8712 1.9978 0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0771 2.7023 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2582 2.0130 0.4828 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2152 0.6453 0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0382 -0.0392 0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0432 -1.7544 -0.0313 S 0 0 0 0 0 6 0 0 0 0 0 0
-3.4811 -2.2470 -0.1243 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3144 -2.4930 1.0472 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3135 -2.0953 -1.5240 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3448 0.6596 0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9255 -0.6587 -0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2232 0.8961 -0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6015 -2.3922 -0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7887 -2.3665 -0.2853 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2745 -1.2079 -0.0729 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0475 2.5683 0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0751 3.7604 0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2281 2.4997 0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1528 0.0845 0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8230 -2.8062 -1.9895 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