Chemical ID: 6702427

c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[N-]c2ccccc2Cl
Chemical ID:
6702427
Name [?]:
(2-chlorophenyl)-[2-(trifluoromethyl)phenyl]sulfonyl-azanide
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[N-]c2ccccc2Cl
InChi [?]:
InChI=1/C13H8ClF3NO2S/c14-10-6-2-3-7-11(10)18-21(19,20)12-8-4-1-5-9(12)13(15,16)17/h1-8H/q-1
InChi Info:
AuxInfo=1/0/N:1,18,17,2,6,19,16,3,5,20,15,4,7,21,8,9,10,14,12,13,11/E:(15,16,17)(19,20)/CRV:18-1,21.6/rA:21nCCCCCCCFFFSOON-CCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;d11;d11;s11;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8ClF3NO2S-
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-23.0703
Area:443.916
Solvation:-34.1682
Coulombic:6.15275
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:334.722
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.1
LogP (Chemaxon):4.01

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue