Chemical ID: 6738558

c1cc(cc(c1)[N-]S(=O)(=O)c2ccc[nH+]c2)C(F)(F)F
Chemical ID:
6738558
Name [?]:
1H-pyridin-5-ylsulfonyl-[3-(trifluoromethyl)phenyl]-azanide
SMILES [?]:
c1cc(cc(c1)[N-]S(=O)(=O)c2ccc[nH+]c2)C(F)(F)F
InChi [?]:
InChI=1/C12H8F3N2O2S/c13-12(14,15)9-3-1-4-10(7-9)17-20(18,19)11-5-2-6-16-8-11/h1-8H/q-1/p+1
InChi Info:
AuxInfo=1/1/N:1,13,2,6,12,14,4,16,3,5,11,17,18,19,20,15,7,9,10,8/E:(13,14,15)(18,19)/CRV:17-1,20.6/rA:20nCCCCCCN-SOOCCCCN+CCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s3;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9F3N2O2S
All Atoms:29
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-24.087
Area:441.101
Solvation:-35.1145
Coulombic:-17.9618
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:302.273
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.23
LogP (Chemaxon):2.18

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