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Chemical ID: 6843218
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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