Chemical ID: 4067211

Cc1cc(nc(c1)NS(=O)(=O)c2ccc(cc2)F)C
Chemical ID:
4067211
Name [?]:
N-(4,6-dimethyl-2-pyridyl)-4-fluoro-benzenesulfonamide
SMILES [?]:
Cc1cc(nc(c1)NS(=O)(=O)c2ccc(cc2)F)C
InChi [?]:
InChI=1/C13H13FN2O2S/c1-9-7-10(2)15-13(8-9)16-19(17,18)12-5-3-11(14)4-6-12/h3-8H,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,19,14,16,13,17,3,7,2,4,15,12,6,18,5,8,10,11,9/E:(3,4)(5,6)(17,18)/CRV:19.6/rA:19nCCCCNCCNSOOCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13FN2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.39522
Area:427.719
Solvation:-3.29776
Coulombic:-19.9603
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:280.319
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.1
LogP (Chemaxon):1.04

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