Chemical ID: 6734456

Cc1ccc(c(c1)C)S(=O)(=O)NCc2ccc[nH+]c2
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

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