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Chemical ID: 4753791
Chemical ID:
4753791
Name [?]:
2-chloro-N-(4-ethyl-2-pyridyl)-benzenesulfonamide
SMILES [?]:
CCc1ccnc(c1)NS(=O)(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C13H13ClN2O2S/c1-2-10-7-8-15-13(9-10)16-19(17,18)12-6-4-3-5-11(12)14/h3-9H,2H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,17,14,4,5,8,3,18,13,7,19,6,9,11,12,10/E:(17,18)/CRV:19.6/rA:19nCCCCCNCCNSOOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13ClN2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.74007 |
Area: | 451.166 |
Solvation: | -2.53908 |
Coulombic: | -17.9714 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.773 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.71 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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