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
-3.4724 1.3388 0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6422 0.5228 0.8146 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3396 -0.7149 0.1911 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2157 -0.7533 -1.0863 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.6713 0.1382 -2.2327 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1402 -2.1540 -1.6758 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3727 -0.2311 -0.6375 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3041 -1.1283 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5845 -0.7794 0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9601 0.5635 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0422 1.4887 -0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7581 1.0997 -0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3243 0.9683 0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0052 -1.8975 0.6729 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9244 1.0999 -0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7162 2.2774 0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2228 0.8178 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9833 -2.1725 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2780 -1.5373 0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3427 2.5443 -0.4405 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0620 1.8462 -1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7018 0.3506 1.3189 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3241 2.0484 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0029 0.8111 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8418 -1.9461 1.7802 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7275 -2.8142 0.1519 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1215 -1.7870 0.5481 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