Chemical ID: 6702417

c1cc(cc(c1)S(=O)(=O)[N-]c2cccnc2)C(F)(F)F
Chemical ID:
6702417
Name [?]:
3-pyridyl-[3-(trifluoromethyl)phenyl]sulfonyl-azanide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)[N-]c2cccnc2)C(F)(F)F
InChi [?]:
InChI=1/C12H8F3N2O2S/c13-12(14,15)9-3-1-5-11(7-9)20(18,19)17-10-4-2-6-16-8-10/h1-8H/q-1
InChi Info:
AuxInfo=1/0/N:1,13,2,12,6,14,4,16,3,11,5,17,18,19,20,15,10,8,9,7/E:(13,14,15)(18,19)/CRV:17-1,20.6/rA:20nCCCCCCSOON-CCCCNCCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s3;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8F3N2O2S-
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-22.8163
Area:440.56
Solvation:-33.8303
Coulombic:0.560071
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:301.265
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.23
LogP (Chemaxon):0.83

Name Annotations

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Descriptor Annotations

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