Chemical ID: 7334991

CSc1cccc(c1)NC(=O)C2CCN(CC2)S(=O)(=O)c3cccc(c3)C(F)(F)F
Chemical ID:
7334991
Name [?]:
N-(3-methylsulfanylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide
SMILES [?]:
CSc1cccc(c1)NC(=O)C2CCN(CC2)S(=O)(=O)c3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C20H21F3N2O3S2/c1-29-17-6-3-5-16(13-17)24-19(26)14-8-10-25(11-9-14)30(27,28)18-7-2-4-15(12-18)20(21,22)23/h2-7,12-14H,8-11H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,23,5,24,6,4,22,13,17,14,16,26,8,12,25,7,3,21,10,27,28,29,30,9,15,11,19,20,2,18/E:(8,9)(10,11)(21,22,23)(27,28)/CRV:30.6/rA:30nCSCCCCCCNCOCCCNCCSOOCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;d18;s18;s21;d22;s23;d24;d21s25;s25;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21F3N2O3S2
All Atoms:51
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.3561
Area:632.237
Solvation:-4.44986
Coulombic:-46.6111
Bond Count [?]
All:32
Single:23
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:458.52
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.05
LogP (Chemaxon):4.3

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Descriptor Annotations

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