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
-2.7235 1.5824 -0.4714 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6529 0.3377 -0.8861 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3590 -0.7503 -0.0286 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2826 -0.6095 1.2969 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.1694 -1.9366 1.9842 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7573 0.3781 2.3199 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3059 -0.1818 0.6898 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6268 1.1541 0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8717 1.4849 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7754 0.5004 -0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4851 -0.8272 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2145 -1.1490 0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1052 0.9240 -0.7628 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9906 -2.0278 -0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5609 1.8610 0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9495 2.3812 -1.1549 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8237 0.1130 -1.9262 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1076 1.8833 0.8388 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1219 2.5436 -0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1701 -1.6303 -0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9324 -2.1864 0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4439 0.3030 -1.6115 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1079 2.0032 -1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8114 0.8452 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5390 -2.8512 0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9877 -2.1999 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0685 -1.9451 0.0368 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