Chemical ID: 6845117

Cc1cc(c(cc1Cl)C)S(=O)(=O)[N-]c2ccccc2C(F)(F)F
Chemical ID:
6845117
Name [?]:
(4-chloro-2,5-dimethyl-phenyl)sulfonyl-[2-(trifluoromethyl)phenyl]-azanide
SMILES [?]:
Cc1cc(c(cc1Cl)C)S(=O)(=O)[N-]c2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C15H12ClF3NO2S/c1-9-8-14(10(2)7-12(9)16)23(21,22)20-13-6-4-3-5-11(13)15(17,18)19/h3-8H,1-2H3/q-1
InChi Info:
AuxInfo=1/0/N:1,9,17,16,18,15,6,3,2,5,19,7,14,4,20,8,21,22,23,13,11,12,10/E:(17,18,19)(21,22)/CRV:20-1,23.6/rA:23nCCCCCCCClCSOON-CCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s4;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12ClF3NO2S-
All Atoms:35
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-19.5011
Area:494.861
Solvation:-31.8727
Coulombic:1.62163
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:362.775
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.55
LogP (Chemaxon):4.94

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