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
-3.3956 1.8279 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4521 1.2182 -0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4003 -0.1893 -0.0820 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2792 -0.9957 0.9298 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.4593 -2.4806 0.9087 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4636 -0.5656 2.3776 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3865 -0.5782 0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 0.5012 1.0968 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3307 0.8226 0.7576 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0272 0.0863 -0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3905 -0.9870 -0.7557 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0897 -1.3066 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4255 0.4135 -0.5445 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2947 -0.9334 -0.9251 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1320 1.2865 1.1597 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4700 2.9154 0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7430 1.8043 -0.6444 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4838 1.0954 1.8335 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8185 1.6721 1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8853 -1.6160 -1.5003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6034 -2.1639 -0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0661 -0.4867 -0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4134 0.8847 -1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8725 1.1388 0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7931 -1.7723 -1.4391 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1902 -1.3126 -0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7435 -0.2791 -1.7273 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