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
-3.1131 1.0159 -1.5439 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5430 0.9274 -0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4214 -0.3074 0.3085 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2541 -0.4862 1.5904 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.3029 -1.8488 2.1907 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5841 0.4996 2.6767 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3697 -0.2051 0.9665 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1339 -1.2370 0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4117 -0.9765 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9190 0.3066 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1664 1.3485 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9047 1.0673 0.9772 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2942 0.5905 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2358 -1.4467 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2175 1.9552 -2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4976 0.1378 -2.0553 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1860 1.8336 0.1068 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7483 -2.2471 0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0399 -1.7840 -0.4335 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5737 2.3527 0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2746 1.8597 1.3845 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0186 -0.0544 0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5540 1.6343 -0.3463 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2979 0.2755 -1.5779 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8024 -2.0046 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2873 -2.1241 0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2617 -1.0829 -0.2447 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