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
3.6934 -0.0413 -1.6965 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4830 0.0897 -1.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3008 0.5258 0.1824 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2582 -0.3951 1.1912 S 0 0 0 0 0 6 0 0 0 0 0 0
1.7671 -1.8153 1.2149 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3257 0.1885 2.5686 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3798 -0.4296 0.5747 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2805 0.5282 0.9549 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5688 0.5166 0.4815 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9865 -0.4655 -0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0978 -1.4427 -0.7914 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8038 -1.4097 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3955 -0.4115 -0.8613 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0011 1.7149 0.6145 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5516 0.2037 -1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8339 -0.3701 -2.7054 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6413 -0.1468 -1.7667 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9723 1.3083 1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2757 1.3002 0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4126 -2.2107 -1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0907 -2.1640 -0.5981 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6822 -1.3625 -1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4890 0.4402 -1.5736 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0478 -0.1654 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8388 1.9352 -0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4335 1.4733 1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3547 2.6058 0.6493 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