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
-3.0958 -0.9836 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7446 -0.0460 -0.8208 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1855 1.1751 -0.4099 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0613 1.3163 0.8854 S 0 0 0 0 0 6 0 0 0 0 0 0
-0.6894 2.7275 1.1370 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6856 0.7819 2.1598 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3707 0.3850 0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4789 -0.9457 0.8224 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5861 -1.7112 0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6504 -1.1543 -0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5481 0.1773 -0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4371 0.9361 -0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8679 -1.9530 -0.5083 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5713 2.3775 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9688 -0.8534 1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5230 -1.9124 -0.3073 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8890 -0.2144 -1.8875 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3557 -1.4010 1.3614 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6587 -2.7614 0.7992 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3742 0.6262 -1.0451 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3436 1.9814 -0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5266 -2.1116 0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4005 -1.5389 -1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5305 -2.9846 -0.8195 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6466 2.9721 -1.2921 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2629 2.9461 -0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0940 2.1691 -2.0700 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