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
-2.1612 0.7678 2.3614 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3760 0.1967 1.1886 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9072 -1.1138 0.9109 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2123 -1.3973 0.9937 S 0 0 0 0 0 6 0 0 0 0 0 0
0.2252 -1.0696 2.4037 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1130 -2.8392 0.7381 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6756 -0.4411 -0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9244 -0.9293 -1.4157 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6344 -0.1223 -2.2781 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0790 1.1205 -1.8975 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8364 1.6229 -0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1259 0.8082 0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8502 1.9984 -2.8327 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8860 -2.1253 0.5764 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5048 1.7625 2.6028 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6058 0.1987 3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9218 0.7715 0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5744 -1.9193 -1.7297 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8308 -0.5074 -3.2763 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2010 2.6055 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9329 1.2050 1.2265 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8618 2.2017 -2.4783 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8045 1.5223 -3.8303 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2402 2.9429 -2.9348 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8064 -1.9042 1.1514 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0457 -2.2470 -0.5008 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4823 -3.1089 0.9413 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