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
-3.3716 0.0145 -0.9857 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7515 0.5632 0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2063 -0.2778 1.0399 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7420 0.1611 1.8294 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.0008 1.4904 2.5133 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4609 -0.8208 2.9442 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5856 0.2639 0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3540 -0.8538 0.4675 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4001 -0.7188 -0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7083 0.4585 -1.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9207 1.5574 -0.7979 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8496 1.4687 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8547 0.5520 -2.0315 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8851 -1.5055 1.4027 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4720 -1.0531 -1.0659 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7869 0.6390 -1.7527 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6735 1.6376 0.0722 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1181 -1.7867 0.9705 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0175 -1.5849 -0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1615 2.4860 -1.3035 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2325 2.3360 0.3121 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9469 1.6034 -2.3504 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8021 0.2068 -1.5803 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6744 -0.0515 -2.9393 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7155 -1.7868 2.4626 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9927 -1.3502 1.3068 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5672 -2.3467 0.7708 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