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Chemical ID: 4228690
Chemical ID:
4228690
Name [?]:
N-(1-piperidylcarbonylmethyl)-N-[3-(trifluoromethyl)phenyl]-methanesulfonamide
SMILES [?]:
CS(=O)(=O)N(CC(=O)N1CCCCC1)c2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C15H19F3N2O3S/c1-24(22,23)20(11-14(21)19-8-3-2-4-9-19)13-7-5-6-12(10-13)15(16,17)18/h5-7,10H,2-4,8-9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,17,18,16,10,14,20,6,19,15,7,21,22,23,24,9,5,8,3,4,2/E:(3,4)(8,9)(16,17,18)(22,23)/CRV:24.6/rA:24cCSOONCCONCCCCCCCCCCCCFFF/rB:s1;d2;d2;s2;s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s5;s15;d16;s17;d18;d15s19;s19;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19F3N2O3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.264 |
Area: | 506.29 |
Solvation: | -5.39327 |
Coulombic: | -38.4027 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 364.384 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.93 |
LogP (Chemaxon): | 1.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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