Chemical ID: 6730620

Cc1cccc(c1)[N-]S(=O)(=O)c2ccc(cc2)CC(C)C
Chemical ID:
6730620
Name [?]:
(4-isobutylphenyl)sulfonyl-(m-tolyl)azanide
SMILES [?]:
Cc1cccc(c1)[N-]S(=O)(=O)c2ccc(cc2)CC(C)C
InChi [?]:
InChI=1/C17H20NO2S/c1-13(2)11-15-7-9-17(10-8-15)21(19,20)18-16-6-4-5-14(3)12-16/h4-10,12-13H,11H2,1-3H3/q-1
InChi Info:
AuxInfo=1/0/N:20,21,1,4,3,5,14,16,13,17,18,7,19,2,15,6,12,8,10,11,9/E:(1,2)(7,8)(9,10)(19,20)/CRV:18-1,21.6/rA:21nCCCCCCCN-SOOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20NO2S-
All Atoms:41
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-22.528
Area:507.977
Solvation:-35.2274
Coulombic:24.9972
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:302.412
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.97
LogP (Chemaxon):4.67

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