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
-3.4074 0.0699 0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7643 -0.7741 -0.6456 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8848 -0.3617 -1.6584 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7411 0.8906 -1.4034 S 0 0 0 0 0 6 0 0 0 0 0 0
0.0418 1.1704 -2.6654 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4373 2.2035 -1.0674 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4031 0.5151 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5670 -0.1287 -0.5058 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5266 -0.4593 0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3303 -0.1453 1.7714 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1631 0.5021 2.1337 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2255 0.8196 1.1726 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3836 -0.5187 2.7474 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9407 -1.0036 -2.9458 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2369 1.1378 -0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0814 -0.2129 0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9283 -1.8254 -0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7926 -0.4074 -1.5247 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4438 -0.9680 0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0262 0.7426 3.1924 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6707 1.3175 1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0495 -0.2404 3.7652 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3244 0.0653 2.5389 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6656 -1.5923 2.6599 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9871 -1.5184 -3.2049 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7663 -1.7273 -3.0352 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0970 -0.2412 -3.7571 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