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
-2.1743 0.7711 -1.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8895 0.4379 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4709 -0.6108 0.6058 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1047 -0.3352 1.6263 S 0 0 0 0 0 6 0 0 0 0 0 0
-0.9474 -1.5257 2.5236 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4777 0.8359 2.5237 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3378 0.0072 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1818 -1.0097 0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3315 -0.7589 -0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6931 0.5236 -0.7632 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8557 1.5463 -0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7067 1.2888 0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9338 0.7876 -1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1852 -1.8694 0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2574 0.2468 -1.5069 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4585 1.5700 -1.9498 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7943 0.9632 -0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9010 -2.0276 0.5963 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9987 -1.5686 -0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1528 2.5492 -0.6554 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0576 2.1003 0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7295 1.1277 -2.5676 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5505 -0.1316 -1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5444 1.5719 -1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5261 -2.7121 0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0565 -1.7949 1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6324 -1.9829 -0.4185 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