Chemical ID: 6919904

CS(=O)(=O)c1ccc(cc1)c2cc(cnc2c3cccnc3)Cl
Chemical ID:
6919904
Name [?]:
5-chloro-3-(4-methylsulfonylphenyl)-2-(3-pyridyl)pyridine
SMILES [?]:
CS(=O)(=O)c1ccc(cc1)c2cc(cnc2c3cccnc3)Cl
InChi [?]:
InChI=1/C17H13ClN2O2S/c1-23(21,22)15-6-4-12(5-7-15)16-9-14(18)11-20-17(16)13-3-2-8-19-10-13/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,7,9,6,10,20,12,22,14,8,17,13,5,11,16,23,21,15,3,4,2/E:(4,5)(6,7)(21,22)/CRV:23.6/rA:23nCSOOCCCCCCCCCCNCCCCCNCCl/rB:s1;d2;d2;s2;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;d11s15;s16;s17;d18;s19;d20;d17s21;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClN2O2S
All Atoms:36
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.33209
Area:512.327
Solvation:-3.47609
Coulombic:-13.6862
Bond Count [?]
All:25
Single:14
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:344.816
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.63
LogP (Chemaxon):2.48

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