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Chemical ID: 6919904
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
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Experimental Annotations
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Descriptor Annotations
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