Chemical ID: 6709608

Cc1ccc(cc1)S(=O)(=O)[N-]c2cccc(c2C)C
Chemical ID:
6709608
Name [?]:
(2,3-dimethylphenyl)-(p-tolylsulfonyl)azanide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)[N-]c2cccc(c2C)C
InChi [?]:
InChI=1/C15H16NO2S/c1-11-7-9-14(10-8-11)19(17,18)16-15-6-4-5-12(2)13(15)3/h4-10H,1-3H3/q-1
InChi Info:
AuxInfo=1/0/N:1,19,18,14,15,13,3,7,4,6,2,16,17,5,12,11,9,10,8/E:(7,8)(9,10)(17,18)/CRV:16-1,19.6/rA:19nCCCCCCCSOON-CCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16NO2S-
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-23.4775
Area:460.069
Solvation:-34.9792
Coulombic:26.6438
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:274.359
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.66
LogP (Chemaxon):4.01

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