Chemical ID: 6388875

Cc1ccc(cc1)c2csc(n2)NS(=O)(=O)c3ccc(cc3)F
Chemical ID:
6388875
Name [?]:
4-fluoro-N-[4-(p-tolyl)thiazol-2-yl]-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NS(=O)(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C16H13FN2O2S2/c1-11-2-4-12(5-3-11)15-10-22-16(18-15)19-23(20,21)14-8-6-13(17)7-9-14/h2-10H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,19,21,18,22,9,2,5,20,17,8,11,23,12,13,15,16,10,14/E:(2,3)(4,5)(6,7)(8,9)(20,21)/CRV:23.6/rA:23nCCCCCCCCCSCNNSOOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;d14;s14;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13FN2O2S2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.66107
Area:511.553
Solvation:-3.12776
Coulombic:-23.14
Bond Count [?]
All:25
Single:15
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:348.417
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.15
LogP (Chemaxon):1.46

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