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
2.7309 1.9035 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6692 0.9124 0.8057 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4599 -0.4043 0.2919 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2213 -1.4373 0.8490 S 0 0 0 0 0 6 0 0 0 0 0 0
1.3332 -2.7778 0.2325 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4281 -1.6121 2.3476 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3735 -0.7702 0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9628 0.0236 1.5386 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2238 0.5674 1.3541 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8577 0.2779 0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3118 -0.5076 -0.8236 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0549 -1.0279 -0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2239 0.8772 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3471 -0.8737 -0.7512 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6265 1.7231 -1.0973 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8876 2.9013 0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7736 1.0842 1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4493 0.2426 2.4703 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6884 1.1972 2.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8704 -0.6934 -1.7352 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5998 -1.6501 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2240 1.8649 0.4502 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4631 0.9246 -1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9266 0.2196 0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4060 -0.1382 -1.5981 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3836 -1.0156 -0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9633 -1.8113 -1.2113 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