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
-3.0966 -0.1170 1.6916 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4675 -0.8822 0.8314 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3823 -0.4713 -0.5226 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4104 0.9208 -0.8624 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.9805 2.1017 -0.1008 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5412 1.2088 -2.3318 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2621 0.6419 -0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1893 0.1110 -1.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5059 -0.1080 -0.9277 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9436 0.2046 0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0282 0.7354 1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7110 0.9507 0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3686 -0.0333 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0855 -1.1956 -1.5748 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5635 0.8229 1.4358 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1695 -0.4213 2.7363 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0121 -1.8135 1.1161 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8545 -0.1356 -2.2793 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2391 -0.5236 -1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3836 0.9769 2.2212 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0112 1.3750 1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8395 -0.7875 0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3765 -0.3579 1.7954 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9129 0.9441 0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0767 -1.4822 -1.1607 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5496 -2.1073 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2906 -0.5576 -2.4522 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