ChemDB: Chemical Search
Download
Chemical ID: 4725133
Chemical ID:
4725133
Name [?]:
2-[(2-ethyl-1-piperidyl)sulfonyl]aniline
SMILES [?]:
CCC1CCCCN1S(=O)(=O)c2ccccc2N
InChi [?]:
InChI=1/C13H20N2O2S/c1-2-11-7-5-6-10-15(11)18(16,17)13-9-4-3-8-12(13)14/h3-4,8-9,11H,2,5-7,10,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,5,6,4,16,13,7,3,17,12,18,8,10,11,9/E:(16,17)/CRV:18.6/rA:18cCCCCCCCNSOOCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20N2O2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.55201 |
Area: | 414.094 |
Solvation: | -1.80034 |
Coulombic: | -25.6422 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 268.376 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.62 |
LogP (Chemaxon): | 2.64 |
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 |
---|