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Chemical ID: 6734456
Chemical ID:
6734456
Name [?]:
2,4-dimethyl-N-(1H-pyridin-5-ylmethyl)benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)C)S(=O)(=O)NCc2ccc[nH+]c2
InChi [?]:
InChI=1/C14H16N2O2S/c1-11-5-6-14(12(2)8-11)19(17,18)16-10-13-4-3-7-15-9-13/h3-9,16H,10H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,8,16,15,3,4,17,7,19,13,2,6,14,5,18,12,10,11,9/E:(17,18)/CRV:19.6/rA:19nCCCCCCCCSOONCCCCCN+C/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17N2O2S+ |
All Atoms: | 36 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -25.1687 |
Area: | 460.489 |
Solvation: | -36.6809 |
Coulombic: | -1.96171 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 277.363 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.99 |
LogP (Chemaxon): | 2.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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