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
-3.0676 0.5892 1.4567 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6668 -0.4176 0.7089 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4522 -0.3198 -0.6947 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2138 0.7112 -1.1771 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.5776 2.1054 -0.7327 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2307 0.7701 -2.7025 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3708 0.3847 -0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7941 0.9329 0.5253 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0631 0.7304 1.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9667 -0.0361 0.3314 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5777 -0.5926 -0.8632 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3083 -0.3766 -1.3396 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3377 -0.2402 0.8951 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3071 -1.1042 -1.5477 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2365 1.5328 0.9535 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2348 0.5434 2.5024 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4956 -1.3618 1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1395 1.5562 1.1417 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3721 1.1692 1.9675 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3178 -1.1997 -1.3958 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0003 -0.8106 -2.2743 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2514 -0.5780 1.9495 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8309 0.7713 0.9171 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9311 -0.9126 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1486 -0.8233 -2.6245 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3928 -0.8474 -1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2374 -2.1764 -1.3706 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