ChemDB: Chemical Search
Download
Chemical ID: 4929768
Chemical ID:
4929768
Name [?]:
N-(2-aminoethyl)-5-dimethylamino-naphthalene-1-sulfonamide
SMILES [?]:
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCN
InChi [?]:
InChI=1/C14H19N3O2S/c1-17(2)13-7-3-6-12-11(13)5-4-8-14(12)20(18,19)16-10-9-15/h3-8,16H,9-10,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,6,11,10,7,5,12,19,18,9,8,4,13,20,17,2,15,16,14/E:(1,2)(18,19)/CRV:20.6/rA:20nCNCCCCCCCCCCCSOONCCN/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s13;d14;d14;s14;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19N3O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18577 |
Area: | 473.974 |
Solvation: | -2.66359 |
Coulombic: | -31.6817 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 293.386 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.57 |
LogP (Chemaxon): | 0.97 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|