Chemical ID: 6759379

CCCCc1nnc(s1)[N-]S(=O)(=O)c2ccc(cc2)C
Chemical ID:
6759379
Name [?]:
(5-butyl-1,3,4-thiadiazol-2-yl)-(p-tolylsulfonyl)azanide
SMILES [?]:
CCCCc1nnc(s1)[N-]S(=O)(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C13H16N3O2S2/c1-3-4-5-12-14-15-13(19-12)16-20(17,18)11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3/q-1
InChi Info:
AuxInfo=1/0/N:1,20,2,3,4,16,18,15,19,17,14,5,8,6,7,10,12,13,9,11/E:(6,7)(8,9)(17,18)/CRV:16-1,20.6/rA:20nCCCCCNNCSN-SOOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s8;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N3O2S2-
All Atoms:36
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-22.0084
Area:520.094
Solvation:-35.0108
Coulombic:20.2905
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:310.417
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.9
LogP (Chemaxon):2.7

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Descriptor Annotations

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