Chemical ID: 6843218

c1cc(c(c(c1)Cl)S(=O)(=O)[N-]c2cc(ccc2Cl)C(F)(F)F)Cl
Chemical ID:
6843218
Name [?]:
[2-chloro-5-(trifluoromethyl)phenyl]-(2,6-dichlorophenyl)sulfonyl-azanide
SMILES [?]:
c1cc(c(c(c1)Cl)S(=O)(=O)[N-]c2cc(ccc2Cl)C(F)(F)F)Cl
InChi [?]:
InChI=1/C13H6Cl3F3NO2S/c14-8-5-4-7(13(17,18)19)6-11(8)20-23(21,22)12-9(15)2-1-3-10(12)16/h1-6H/q-1
InChi Info:
AuxInfo=1/0/N:1,2,6,15,16,13,14,17,3,5,12,4,19,18,23,7,20,21,22,11,9,10,8/E:(2,3)(9,10)(15,16)(17,18,19)(21,22)/CRV:20-1,23.6/rA:23nCCCCCCClSOON-CCCCCCClCFFFCl/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s14;s19;s19;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H6Cl3F3NO2S-
All Atoms:29
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-19.4275
Area:510.656
Solvation:-32.1939
Coulombic:2.2836
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:403.612
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.35
LogP (Chemaxon):5.04

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Descriptor Annotations

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