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Chemical ID: 5276925
Chemical ID:
5276925
Name [?]:
6-chloro-N-ethyl-N-(1-naphthyl)pyridine-3-sulfonamide
SMILES [?]:
CCN(c1cccc2c1cccc2)S(=O)(=O)c3ccc(nc3)Cl
InChi [?]:
InChI=1/C17H15ClN2O2S/c1-2-20(23(21,22)14-10-11-17(18)19-12-14)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,11,6,13,7,10,5,18,19,22,8,17,9,4,20,23,21,3,15,16,14/E:(21,22)/CRV:23.6/rA:23cCCNCCCCCCCCCCSOOCCCCNCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s3;d14;d14;s14;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15ClN2O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.85738 |
Area: | 483.095 |
Solvation: | -2.21999 |
Coulombic: | -15.29 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 346.832 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.43 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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