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
-1.6105 -1.8062 2.0582 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1972 -1.6411 0.8937 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5938 -1.9619 -0.3439 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0968 -1.8441 -0.6203 S 0 0 0 0 0 6 0 0 0 0 0 0
0.7775 -2.7828 0.3573 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4400 -2.3625 -1.9864 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6765 -0.2115 -0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1128 0.2406 0.7982 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5793 1.5234 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6303 2.4236 -0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1982 1.9895 -1.2846 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7344 0.7051 -1.4654 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1363 3.8061 0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4481 -2.4141 -1.4362 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1262 -1.5414 2.9626 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6132 -2.2043 2.1393 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1981 -1.2369 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0677 -0.4812 1.6162 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9050 1.8006 1.9936 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2230 2.6743 -2.1375 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3979 0.3837 -2.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2475 4.4870 0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7025 4.1410 -0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8109 3.8228 1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5854 -3.5116 -1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4170 -1.8723 -1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9472 -2.1258 -2.4068 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