Monomers
N,4-dimethyl-N-vinylbenzenesulfonamide
Identifiers
IUPAC name
N-ethenyl-N,4-dimethylbenzenesulfonamide
InchI
InChI=1S/C10H13NO2S/c1-4-11(3)14(12,13)10-7-5-9(2)6-8-10/h4-8H,1H2,2-3H3
InchI Key
KNFILXSWEXSJCV-UHFFFAOYSA-N
SMILES
C=CN(S(=O)(=O)c1ccc(cc1)C)C
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(C)C=C
Isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(C)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H13NO2S
Heavy Atom Count
14
Molecular Weight
211.286
Exact Molecular Weight
211.0667
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
1.759
H Bond Acceptors
2
H Bond Donors
0
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
-2.8350 -0.7872 -1.9472 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6481 -0.9126 -0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4799 0.1879 0.2159 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3068 0.1237 1.4545 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.3207 1.3837 2.3040 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6493 -1.0079 2.4042 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3099 -0.0574 0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0265 1.0868 0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 1.0236 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9402 -0.1784 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2137 -1.3218 0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9176 -1.2661 0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3308 -0.2232 -0.6574 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2990 1.3524 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9552 -1.6676 -2.5458 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8712 0.1762 -2.4268 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6258 -1.9325 -0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5913 2.0827 0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8888 1.9237 -0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6988 -2.2783 -0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3494 -2.1629 0.8602 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9459 -0.9631 -0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3530 -0.4220 -1.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7891 0.7654 -0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2860 1.2445 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8368 2.2723 0.4551 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5512 1.5581 -1.0068 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
4 6 2 0
4 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
10 13 1 0
3 14 1 0
12 7 1 0
1 15 1 0
1 16 1 0
2 17 1 0
8 18 1 0
9 19 1 0
11 20 1 0
12 21 1 0
13 22 1 0
13 23 1 0
13 24 1 0
14 25 1 0
14 26 1 0
14 27 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers