ChemDB: Chemical Search
Download
Chemical ID: 7290236
Chemical ID:
7290236
Name [?]:
1-(2-fluorophenyl)sulfonyl-N-tert-butyl-piperidine-4-carboxamide
SMILES [?]:
CC(C)(C)NC(=O)C1CCN(CC1)S(=O)(=O)c2ccccc2F
InChi [?]:
InChI=1/C16H23FN2O3S/c1-16(2,3)18-15(20)12-8-10-19(11-9-12)23(21,22)14-7-5-4-6-13(14)17/h4-7,12H,8-11H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,20,19,21,18,9,13,10,12,8,22,17,6,2,23,5,11,7,15,16,14/E:(1,2,3)(8,9)(10,11)(21,22)/CRV:23.6/rA:23nCCCCNCOCCCNCCSOOCCCCCCF/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;d14;s14;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23FN2O3S |
All Atoms: | 46 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.21292 |
Area: | 509.82 |
Solvation: | -3.53258 |
Coulombic: | -31.6695 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 342.43 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.28 |
LogP (Chemaxon): | 1.58 |
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 |
---|