ChemDB: Chemical Search
Download
Chemical ID: 4794781
Chemical ID:
4794781
Name [?]:
4-fluoro-N-methyl-N-(1-methyl-4-piperidyl)-benzenesulfonamide
SMILES [?]:
CN1CCC(CC1)N(C)S(=O)(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C13H19FN2O2S/c1-15-9-7-12(8-10-15)16(2)19(17,18)13-5-3-11(14)4-6-13/h3-6,12H,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,15,17,14,18,4,6,3,7,16,5,13,19,2,8,11,12,10/E:(3,4)(5,6)(7,8)(9,10)(17,18)/CRV:19.6/rA:19cCNCCCCCNCSOOCCCCCCF/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s8;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19FN2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.00749 |
Area: | 445.046 |
Solvation: | -3.11867 |
Coulombic: | -15.674 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 286.367 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.67 |
LogP (Chemaxon): | 1.29 |
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 |
---|