Chemical ID: 6838521

Cc1ccc(cc1S(=O)(=O)[N-]c2ccccn2)C(C)C
Chemical ID:
6838521
Name [?]:
(5-isopropyl-2-methyl-phenyl)sulfonyl-(2-pyridyl)azanide
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)[N-]c2ccccn2)C(C)C
InChi [?]:
InChI=1/C15H17N2O2S/c1-11(2)13-8-7-12(3)14(10-13)20(18,19)17-15-6-4-5-9-16-15/h4-11H,1-3H3/q-1
InChi Info:
AuxInfo=1/0/N:19,20,1,14,15,13,3,4,16,6,18,2,5,7,12,17,11,9,10,8/E:(1,2)(18,19)/CRV:17-1,20.6/rA:20nCCCCCCCSOON-CCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s5;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17N2O2S-
All Atoms:37
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-24.6987
Area:475.105
Solvation:-36.5764
Coulombic:24.2989
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:289.374
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.66
LogP (Chemaxon):3.16

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Descriptor Annotations

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