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Chemical ID: 6149903
Chemical ID:
6149903
Name [?]:
4-methyl-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine
SMILES [?]:
CC1CCN(CC1)S(=O)(=O)c2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C13H16F3NO2S/c1-10-6-8-17(9-7-10)20(18,19)12-5-3-2-4-11(12)13(14,15)16/h2-5,10H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,3,7,4,6,2,16,11,17,18,19,20,5,9,10,8/E:(6,7)(8,9)(14,15,16)(18,19)/CRV:20.6/rA:20nCCCCNCCSOOCCCCCCCFFF/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;d8;s8;s11;d12;s13;d14;d11s15;s16;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16F3NO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.44881 |
Area: | 417.792 |
Solvation: | -2.99598 |
Coulombic: | -25.6796 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 307.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.41 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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