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Chemical ID: 4098900
Chemical ID:
4098900
Name [?]:
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILES [?]:
c1cc(c(cc1S(=O)(=O)N2CCCCC2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C12H13ClF3NO2S/c13-11-5-4-9(8-10(11)12(14,15)16)20(18,19)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2
InChi Info:
AuxInfo=1/0/N:13,12,14,1,2,11,15,5,6,4,3,16,20,17,18,19,10,8,9,7/E:(2,3)(6,7)(14,15,16)(18,19)/CRV:20.6/rA:20nCCCCCCSOONCCCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s10s14;s4;s16;s16;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13ClF3NO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.52939 |
Area: | 450.415 |
Solvation: | -2.73099 |
Coulombic: | -25.3567 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 327.751 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.52 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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