Chemical ID: 4104202

c1cc(cc(c1)S(=O)(=O)Nc2cccnc2)C(F)(F)F
Chemical ID:
4104202
Name [?]:
N-(3-pyridyl)-3-(trifluoromethyl)benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)Nc2cccnc2)C(F)(F)F
InChi [?]:
InChI=1/C12H9F3N2O2S/c13-12(14,15)9-3-1-5-11(7-9)20(18,19)17-10-4-2-6-16-8-10/h1-8,17H
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:20.6/rA:20nCCCCCCSOONCCCCNCCFFF/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:C12H9F3N2O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.7101
Area:432.552
Solvation:-3.10369
Coulombic:-35.2629
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:302.273
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.39
LogP (Chemaxon):0.83

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