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
4.2150 -0.0893 0.6268 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9529 -0.2534 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0191 -0.6984 -1.3519 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6890 0.0925 0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7296 0.5155 1.7483 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4291 -0.0237 -0.0591 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8324 0.2702 0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0010 0.7415 1.7547 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2770 1.0181 2.2359 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3716 0.8205 1.4304 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2073 0.3482 0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9498 0.0694 -0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6862 -0.5266 -1.9551 S 0 0 0 0 0 6 0 0 0 0 0 0
-0.8965 0.4423 -2.8012 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0785 -1.9011 -1.9704 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2067 -0.6685 -2.7032 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3164 -0.8493 1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1993 0.9005 1.1569 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1024 -0.0809 -0.0278 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1308 -0.8389 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9628 -0.9482 -1.8341 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4538 -0.3854 -1.0658 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1873 0.9176 2.4354 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4002 1.3941 3.2609 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3674 1.0321 1.7939 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0794 0.1958 -0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6590 -1.4948 -2.4028 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