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
4.2039 0.6298 -0.6576 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9253 -0.1338 -0.5206 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9662 -1.4337 -0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6761 0.5619 -0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7462 1.8062 -0.1310 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4250 -0.0733 -0.0981 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8222 0.5232 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0501 1.8785 0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3104 2.4059 0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3648 1.5554 0.6937 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1511 0.2042 0.5263 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9199 -0.3300 0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7229 -2.0286 0.0715 S 0 0 0 0 0 6 0 0 0 0 0 0
-0.7675 -2.6340 1.0699 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1973 -2.3332 -1.3164 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1680 -2.8611 0.2281 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8538 0.1742 -1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8027 0.6089 0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0204 1.6715 -0.9967 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9279 -1.9181 -0.8653 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1419 -2.1213 -0.5879 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4723 -1.1296 -0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2365 2.5703 0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3776 3.4805 0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3535 1.9521 0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0183 -0.4372 0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7014 -2.5888 0.9978 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