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
3.2181 1.3925 -0.8482 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6519 0.2101 -0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3847 -0.4435 0.3670 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1208 0.1723 1.3273 S 0 0 0 0 0 6 0 0 0 0 0 0
1.1134 -0.5365 2.6473 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4445 1.6289 1.6247 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4318 0.1109 0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8439 1.1847 -0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0857 1.2073 -0.8206 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9150 0.1123 -0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5156 -0.9903 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2811 -0.9655 0.6884 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2542 0.0422 -1.3275 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2116 -1.5721 0.7038 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4650 1.8380 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4246 1.8951 -1.7756 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3840 -0.2801 -1.8095 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2348 2.0737 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4110 2.0503 -1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1773 -1.8502 0.1771 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9911 -1.8464 1.2819 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9021 -0.6536 -0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1328 -0.2115 -2.4134 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7013 1.0626 -1.3086 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4043 -2.2332 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2421 -1.2431 1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8125 -2.1550 1.5651 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