Chemical ID: 4770597

c1ccc(c(c1)N)SCC(=O)Nc2cc(ccc2Cl)C(F)(F)F
Chemical ID:
4770597
Name [?]:
2-(2-aminophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1ccc(c(c1)N)SCC(=O)Nc2cc(ccc2Cl)C(F)(F)F
InChi [?]:
InChI=1/C15H12ClF3N2OS/c16-10-6-5-9(15(17,18)19)7-12(10)21-14(22)8-23-13-4-2-1-3-11(13)20/h1-7H,8,20H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,17,14,9,15,18,5,13,4,10,20,19,21,22,23,7,12,11,8/E:(17,18,19)/rA:23nCCCCCCNSCCONCCCCCCClCFFF/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s15;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12ClF3N2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.62637
Area:526.462
Solvation:-3.53519
Coulombic:-56.7221
Bond Count [?]
All:24
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:360.783
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.97
LogP (Chemaxon):3.43

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