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
3.0579 1.4623 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0240 -0.0196 0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1633 -0.6648 0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7491 -0.7530 0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7871 -1.9943 0.2389 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5217 -0.0559 0.0857 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7624 -0.6167 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0046 -1.9545 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3067 -2.4618 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3761 -1.6130 -0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1355 -0.2515 -0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8395 0.2287 -0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5802 1.9454 -0.1474 S 0 0 0 0 0 6 0 0 0 0 0 0
-0.7476 2.3299 -1.3613 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9254 2.4317 1.1120 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0354 2.7705 -0.2986 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0786 1.8327 0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6350 1.8728 1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4045 1.8414 -0.5433 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1057 -0.1555 0.5178 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1687 -1.7416 0.4587 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6496 1.0127 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2556 -2.7145 0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5098 -3.5183 -0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3962 -2.0082 -0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9413 0.4491 -0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5289 2.3459 -1.0356 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